466	490	863	0:SP3_SP2_SP3	C[6]	C	O	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6]-4:C-4:C-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	O(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	O(C[6]C[6,6a]C[6]C)	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O){1|O<2>,4|C<4>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	110.8465	1.845	2	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:2:4:1:	4:1:1:1:	4:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	110.8465	1.845	2	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)	109.0830	0.000	1	109.0830	0.000	1	109.9585	1.533	2	108.7650	6.892	6	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)	110.8340	0.000	1	110.8340	0.000	1	109.9585	1.533	2	108.7650	6.892	6	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(CF3)(O)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)	C[6](C[6]C[6]FF)2(CF3)(O){1|C<4>,4|F<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)	110.5115	0.071	2	110.5115	0.005	2	110.5115	0.005	2	108.7650	6.892	6	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)	103.9970	0.000	1	103.9970	0.000	1	105.8250	6.683	2	108.7650	6.892	6	108.9097	5.785	10	108.9097	5.785	10
466	490	863	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)	107.6530	0.000	1	107.6530	0.000	1	105.8250	6.683	2	108.7650	6.892	6	108.9097	5.785	10	108.9097	5.785	10
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[3x6]	4:3:4:1:	4:4:4:1:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)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	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>}	C(C[6]C[6,6a]B[3x6]H)(CH3)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{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	117.5147	0.972	4	117.4290	0.745	5	117.4162	0.597	6	117.5987	0.731	7	117.5987	0.731	7	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[3x6]	4:3:4:1:	4:4:4:1:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)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	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>}	C(C[6]C[6,6a]B[3x6]H)(CH3)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{2|C<4>,4|C<3>,9|H<1>}	117.0860	0.000	1	117.4290	0.745	5	117.4162	0.597	6	117.5987	0.731	7	117.5987	0.731	7	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[3x6]	4:3:4:1:	4:4:4:1:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)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	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>}	C(C[6]C[6,6a]B[3x6]H)(CH3)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{2|C<4>,5|C<3>,8|H<1>}	117.3520	0.000	1	117.3520	0.000	1	117.4162	0.597	6	117.5987	0.731	7	117.5987	0.731	7	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[3x6]	4:3:4:1:	4:4:4:1:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	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>}	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	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>}	118.6940	0.000	1	118.6940	0.000	1	118.6940	0.000	1	117.5987	0.731	7	117.5987	0.731	7	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	3:4:4:1:	4:4:4:1:	3:4:1:1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:Br-1:Br-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	115.8657	0.948	3	115.7019	8.966	14	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	3:4:4:1:	4:4:4:1:	3:4:1:1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	115.8657	0.948	3	115.7019	8.966	14	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	3:4:4:1:	4:4:4:1:	3:4:1:1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:I-1:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	115.8657	0.948	3	115.7019	8.966	14	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	3:4:4:1:	4:4:4:1:	3:4:3:3:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	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>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	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>}	117.5200	1.742	2	117.6768	3.245	6	117.6768	3.245	6	117.6768	3.245	6	115.7019	8.966	14	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	3:4:4:1:	4:4:4:1:	3:4:3:3:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	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>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	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>}	117.7553	2.091	4	117.6768	3.245	6	117.6768	3.245	6	117.6768	3.245	6	115.7019	8.966	14	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	3:4:4:4:	4:1:1:1:	3:4:3:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	C(C[6]C[6,6a]B[6]C)(H)3	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]B[6]C)(H)3	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	109.7365	1.606	2	109.7365	2.579	2	109.7365	2.579	2	109.7365	2.579	2	115.7019	8.966	14	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	4:4:4:1:	4:4:1:1:	3:3:3:4:	B[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	C(C[6]B[6]P[6]H)(CH3)(H)2	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	C(C[6]B[6]P[6]H)(CH3)(H)2	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>}	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	115.7019	8.966	14	116.3342	6.887	21
466	490	874	0:SP3_SP3_SP3	C[6]	C	B[6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	C(C[6]B[6]C[6]H)(CH3)2(H)	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	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>}	C(C[6]B[6]C[6]H)(CH3)2(H)	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	115.1405	0.262	2	115.1405	0.069	2	115.1405	0.069	2	115.1405	0.069	2	115.7019	8.966	14	116.3342	6.887	21
466	490	880	0:SP3_SP3_SP3	C[6,6]	C	Si	4:4:4:4:	4:3:1:1:	4:3:3:4:	Ga[3x6]-4:Ga[3x6]-4:Si-4:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C-4:	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	Si(C[6,6]Ga[3x6]2C)(C[6a]C[6a]2)2(CH3)	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	Si(C[6,6]Ga[3x6]2C)(C[6a]C[6a]2)2(CH3)	118.3975	2.109	2	118.3975	4.449	2	118.3975	4.449	2	118.3975	4.449	2	118.3975	4.449	2	115.1610	12.349	6
466	490	880	0:SP3_SP3_SP3	C[6]	C	Si	2:2:4:4:	4:4:3:1:	4:4:4:4:	S[6]-2:S[6]-2:C-4:Si-4:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](S[6]C[6])2(CCCH)(SiC3)	C(C[6]S[6]2Si)(CH3)(CHO)(H)	Si(C[6]S[6]2C)(CH3)3	C[6](S[6]C[6])2(CCCH)(SiC3){1|C<4>,4|H<1>}	C(C[6]S[6]2Si)(CH3)(CHO)(H)	Si(C[6]S[6]2C)(CH3)3	115.7870	0.314	2	115.7870	0.099	2	115.7870	0.099	2	115.7870	0.099	2	113.5427	8.624	4	115.1610	12.349	6
466	490	880	0:SP3_SP3_SP3	C[6]	C	Si	4:3:4:4:	3:4:1:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:Si-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	Si(C[6]C[6]2C)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	Si(C[6]C[6]2C)(CH3)3	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	113.5427	8.624	4	115.1610	12.349	6
466	490	880	0:SP3_SP3_SP3	C[6]	C	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-4:C[6]-4:Si-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3)	C(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]C)(CH3)3	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3){2|C<3>,2|H<1>}	C(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]C)(CH3)3	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	113.5427	8.624	4	115.1610	12.349	6
466	490	892	0:SP3_SP3_SP3	C[6]	C	N	3:3:4:4:	4:1:1:1:	4:2:1:1:	C[6]-3:C[6]-3:N-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]O)2(NHHO)(CH3)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(OH)(H)2	C[6](C[6]O[6]O)2(NHHO)(CH3){1|C<4>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(OH)(H)2	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	108.3637	1.610	7	108.3637	1.610	7
466	490	892	0:SP3_SP3_SP3	C[6]	C	N	3:3:4:4:	4:4:1:1:	4:2:1:1:	C[6]-3:C[6]-3:C-4:N-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)(NHHO)	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(OH)(H)2	C[6](C[6]N[6]O)2(CCHH)(NHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(OH)(H)2	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	108.3637	1.610	7	108.3637	1.610	7
466	490	892	0:SP3_SP3_SP3	C[6]	C	N	3:4:4:4:	4:1:1:1:	4:3:1:1:	C[6]-3:C[6]-4:N-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(NHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(NHH)(H)2	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	108.3637	1.610	7	108.3637	1.610	7
466	490	892	0:SP3_SP3_SP3	C[6]	C	N	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NH3)	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(NH3){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(H)3	107.7270	0.621	2	107.7270	0.385	2	107.7270	0.385	2	107.7270	0.385	2	108.3637	1.610	7	108.3637	1.610	7
466	490	892	0:SP3_SP3_SP3	C[6]	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCHH)	C(C[6]C[6]2N)(CCHH)(H)2	N(C[6]C[6]2C)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(CCHH)(H)2	N(C[6]C[6]2C)(CC[6a]HH)(H)2	109.8660	0.643	2	109.8660	0.414	2	109.8660	0.414	2	109.8660	0.414	2	108.3637	1.610	7	108.3637	1.610	7
466	490	893	0:SP3_SP2_SP3	C[6,6]	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6,6]-3:C[3x6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CCO)	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	110.0279	1.621	9	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:3:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	110.2650	0.000	1	110.2650	0.000	1	110.8992	0.327	5	110.8992	0.327	5	110.0279	1.621	9	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:3:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CCO)	111.0577	0.518	4	111.0577	0.268	4	110.8992	0.327	5	110.8992	0.327	5	110.0279	1.621	9	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6,6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(CCO)	108.5200	0.752	2	108.5200	0.566	2	108.5200	0.566	2	108.5200	0.566	2	110.0279	1.621	9	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6,6]	C	O	4:4:4:2:	4:2:1:1:	4:3:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC)	C(C[6,6]C[3x6]2O)(OC)(H)2	O(C[6,6]C[3x6]2C)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2O)(OC)(H)2	O(C[6,6]C[3x6]2C)(CCO)	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	110.0279	1.621	9	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	3:3:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	104.0260	0.000	1	104.0260	0.000	1	104.0260	0.000	1	104.0260	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:3:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	102.4200	0.000	1	102.4200	0.000	1	102.4200	0.000	1	105.2289	1.555	15	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	105.9569	0.682	9	105.9569	0.465	9	105.4295	1.024	14	105.2289	1.555	15	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	104.0495	0.317	2	104.0495	0.101	2	105.4295	1.024	14	105.2289	1.555	15	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]O)2(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]O)2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	104.7673	0.967	3	104.7673	0.935	3	105.4295	1.024	14	105.2289	1.555	15	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	O(C[6]C[6,6a]C[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	O(C[6]C[6,6a]C[6]C)(CNO)	102.5600	0.000	1	102.5600	0.000	1	102.5600	0.000	1	102.5600	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC){2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[5,5,6]O)	105.5340	0.000	1	105.5340	0.000	1	105.5340	0.000	1	105.5340	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC)	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(CCO)	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:2:4:	4:1:1:1:	3:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	C(C[6]C[6]2O)(H)3	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6a]C[6a]2)(C[6]C[6]2C)	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:2:4:	4:4:4:1:	3:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	C(C[6]C[6]2O)(CH3)2(H)	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	O(C[6a]C[6a]2)(C[6]C[6]2C)	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(O)	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(CCO)	109.3450	0.000	1	109.3450	0.000	1	109.4555	0.024	2	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(CCO)	109.5660	0.000	1	109.5660	0.000	1	109.4555	0.024	2	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CNO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CNO)	110.6010	0.000	1	110.6010	0.000	1	106.2612	42.237	4	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CC[6a]O)	111.0390	0.000	1	111.0390	0.000	1	106.2612	42.237	4	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CCO)	106.3650	0.000	1	101.7023	43.482	2	106.2612	42.237	4	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CCO)	97.0396	0.000	1	101.7023	43.482	2	106.2612	42.237	4	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CF3)(OC)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(CCO)	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	108.7810	0.000	1	108.7810	0.000	1	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	107.4070	0.000	1	107.6565	0.125	2	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	107.9060	0.000	1	107.6565	0.125	2	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CHO)	109.0580	0.000	1	109.0580	0.000	1	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[6a]O)	107.6270	0.000	1	102.9047	44.600	2	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[6a]O)	98.1824	0.000	1	102.9047	44.600	2	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(COO)	110.6400	0.000	1	110.6400	0.000	1	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCO)	102.0040	0.000	1	102.0040	0.000	1	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]HH)2(CH3)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CC[6a]O)	108.0950	0.000	1	108.0950	0.000	1	106.6334	15.592	9	106.9415	17.802	16	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(CHHO)(ON)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(NC)	C[6](C[6]C[6]HH)2(CHHO)(ON){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(NC)	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP2_SP3	C[6]	C	O	4:4:4:2:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	C(C[6]C[6]2O)(CCHO)(OC)(H)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CCHO)(OC)(H)	O(C[6]C[6]2C)(CCO)	102.2480	0.000	1	102.2480	0.000	1	102.2480	0.000	1	102.2480	0.000	1	106.3638	11.109	40	107.0368	11.351	49
466	490	893	0:SP3_SP3_SP3	C[3x6]	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C[3x6]-4:P-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	O(C[3x6]C[4x6]2C)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	O(C[3x6]C[4x6]2C)(H)	106.7970	0.000	1	106.7970	0.000	1	106.7970	0.000	1	106.7970	0.000	1	106.7970	0.000	1	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:Cl-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	O(C[6,6]C[3x6]C[6,6]C)(H)	109.2520	3.503	2	109.2520	12.271	2	109.2520	12.271	2	109.5912	6.966	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	111.2200	0.000	1	110.8000	0.353	2	111.0943	0.436	3	109.5912	6.966	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	110.3800	0.000	1	110.8000	0.353	2	111.0943	0.436	3	109.5912	6.966	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	111.6830	0.000	1	111.6830	0.000	1	111.0943	0.436	3	109.5912	6.966	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH)	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	O(C[6,6]C[4,6,6]C[6,6]C)(H)	105.7600	0.000	1	105.7600	0.000	1	105.7600	0.000	1	109.5912	6.966	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:1:1:1:	4:2:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O-2:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	C(C[6,6]C[5,3x6]C[3x6]O)(H)3	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[5,3x6]C[3x6]O)(H)3	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	100.3470	0.000	1	100.3470	0.000	1	100.3470	0.000	1	100.3470	0.000	1	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:2:1:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	O(C[6,6]C[3x6]C[6,6]C)(H)	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:3:1:1:	4:2:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:O-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	112.3060	0.000	1	112.3060	0.000	1	112.2100	0.018	2	112.2100	0.018	2	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	112.1140	0.000	1	112.1140	0.000	1	112.2100	0.018	2	112.2100	0.018	2	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH)	C(C[6,6]C[3x6]2O)(H)3	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH){2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[3x6]2O)(H)3	O(C[6,6]C[3x6]2C)(H)	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	107.3336	2.604	8	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	108.7370	0.102	2	108.0588	0.517	5	108.0588	0.517	5	107.3336	2.604	8	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	107.6067	0.513	3	108.0588	0.517	5	108.0588	0.517	5	107.3336	2.604	8	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	O(C[6,6]C[3x6]C[6,6]C)(H)	104.1220	0.000	1	104.1220	0.000	1	104.1220	0.000	1	107.3336	2.604	8	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(CH3)(OH)	C(C[6,6]C[6,6]2O)(H)3	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6]2H)2(CH3)(OH){1|N<3>,1|S<4>,8|H<1>}	C(C[6,6]C[6,6]2O)(H)3	O(C[6,6]C[6,6]2C)(H)	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	107.3336	2.604	8	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	C(C[6,6]C[6,6]2O)(H)3	O(C[6,6]C[6,6]2C)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	C(C[6,6]C[6,6]2O)(H)3	O(C[6,6]C[6,6]2C)(CH3)	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH)	C(C[6,6]C[3x6]2O)(CCH)(H)2	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2O)(CCH)(H)2	O(C[6,6]C[3x6]2C)(H)	106.5447	0.102	4	106.5447	0.010	4	106.5447	0.010	4	106.7607	0.169	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C(C[6,6]C[6,6]2O)(CCH)(H)2	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]2O)(CCH)(H)2	O(C[6,6]C[6,6]2C)(H)	107.5480	0.000	1	107.1925	0.253	2	107.1925	0.253	2	106.7607	0.169	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C(C[6,6]C[6,6]2O)(CCH)(H)2	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2O)(CCH)(H)2	O(C[6,6]C[6,6]2C)(H)	106.8370	0.000	1	107.1925	0.253	2	107.1925	0.253	2	106.7607	0.169	6	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C(C[6,6]C[6,6]2O)(CH3)(H)2	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2O)(CH3)(H)2	O(C[6,6]C[6,6]2C)(H)	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	108.0440	0.919	2	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:Si-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	C(C[6,6]C[6,6]2O)(SiC3)(H)2	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C(C[6,6]C[6,6]2O)(SiC3)(H)2	O(C[6,6]C[6,6]2C)(H)	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	108.0440	0.919	2	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:4:1:1:	4:4:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	110.2115	2.620	2	110.2115	6.864	2	110.2115	6.864	2	110.0693	3.492	3	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6,6]	C	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:Si-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	110.0693	3.492	3	108.2535	6.696	31	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:2:4:2:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[3x6])2(CH3)(OC)	C(C[6]O[6]2O)(H)3	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[3x6])2(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]O[6]2O)(H)3	O(C[6]O[6]2C)(CH3)	114.0110	0.000	1	114.0110	0.000	1	113.9295	0.013	2	113.9295	0.013	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:2:4:2:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6])2(CH3)(OC)	C(C[6]O[6]2O)(H)3	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[6,6])2(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2O)(H)3	O(C[6]O[6]2C)(CH3)	113.8480	0.000	1	113.8480	0.000	1	113.9295	0.013	2	113.9295	0.013	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:3:3:4:	4:1:1:1:	6:4:	O-2:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C[6]-4:	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2O)(H)3	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2C)	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2C)	102.7040	0.000	1	102.7040	0.000	1	102.7040	0.000	1	102.7040	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:3:4:2:	4:1:1:1:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	109.6510	0.339	2	109.6510	0.115	2	109.6510	0.115	2	111.1697	7.299	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:3:4:2:	4:1:1:1:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	111.9290	3.134	4	111.9290	9.821	4	111.9290	9.821	4	111.1697	7.299	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:3:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	114.6980	0.000	1	114.6980	0.000	1	114.6980	0.000	1	114.6980	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:3:4:2:	4:2:1:1:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:3:4:2:	4:4:1:1:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	O(C[6]C[6]O[6]C)(H)	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:4:4:2:	4:1:1:1:	4:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	111.8957	6.535	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:4:4:2:	4:1:1:1:	4:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	113.3535	0.565	2	113.3535	0.319	2	113.3535	0.319	2	111.8957	6.535	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:4:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	105.7910	0.000	1	105.7910	0.000	1	111.2312	13.481	4	111.6125	8.603	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:4:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.0447	0.701	3	113.0447	0.491	3	111.2312	13.481	4	111.6125	8.603	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:4:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:Si-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(SiC3)	111.7320	0.000	1	112.3750	0.827	2	112.3750	0.827	2	111.6125	8.603	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	2:4:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:Si-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(SiC3)	113.0180	0.000	1	112.3750	0.827	2	112.3750	0.827	2	111.6125	8.603	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:2:4:2:	4:1:1:1:	4:1:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:2:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6]-4:C-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	O(C[6]C[6,6a]O[6]C)(H)	104.8110	0.000	1	104.8110	0.000	1	104.8110	0.000	1	107.7550	17.334	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:2:4:2:	4:4:1:1:	4:1:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	O(C[6]C[6]O[6]C)(H)	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	107.7550	17.334	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C(C[6]C[6,6a]N[6]O)(H)3	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(H)3	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	3:4:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	3:4:2:1:	4:4:	C[6]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]O)2(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	O(C[6]C[6]2C)(CH3)	104.3210	0.000	1	104.3210	0.000	1	104.3210	0.000	1	104.7675	0.399	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	3:4:2:1:	4:4:	C[6]-3:N[6]-3:C-4:O-2:	C[5a]-3:C[6]-4:S-2:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	O(C[6]C[6]N[6]C)(CH3)	105.2140	0.000	1	105.2140	0.000	1	105.2140	0.000	1	104.7675	0.399	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C(C[6]C[6,6a]2O)(F)3	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C(C[6]C[6,6a]2O)(F)3	O(C[6]C[6,6a]2C)(H)	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	O(C[6]C[6,6a]2C)(H)	108.9475	0.543	4	107.1210	4.163	8	106.9961	3.783	9	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	O(C[6]C[6,6a]2C)(H)	105.2945	0.723	4	107.1210	4.163	8	106.9961	3.783	9	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	O(C[6]C[6,6a]2C)(H)	105.9970	0.000	1	105.9970	0.000	1	106.9961	3.783	9	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	109.8527	1.151	3	109.8527	1.324	3	109.8527	1.324	3	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C(C[6]C[6,6a]N[5a,6]O)(H)3	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(H)3	O(C[6]C[6,6a]N[5a,6]C)(H)	109.4200	3.772	2	109.4200	14.226	2	109.4200	14.226	2	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	112.8030	0.693	5	112.8030	0.480	5	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.4845	0.040	2	110.4845	0.002	2	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.5820	0.000	1	106.2470	4.738	6	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,2|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.0375	1.798	2	106.2470	4.738	6	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	104.6083	0.122	3	106.2470	4.738	6	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.1673	0.316	3	110.1673	0.100	3	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.7180	0.000	1	107.8480	1.934	3	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.5820	0.000	1	107.8480	1.934	3	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH){3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.2440	0.000	1	107.8480	1.934	3	109.2901	8.797	19	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6]O)(F)3	O(C[6]C[6]N[6]C)(H)	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	108.5892	7.472	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C(C[6]C[6,6a]N[6]O)(F)3	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(F)3	O(C[6]C[6,6a]N[6]C)(CH3)	102.5680	0.294	2	102.5680	0.087	2	102.5680	0.087	2	103.1747	1.147	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CH3)	104.3880	0.000	1	104.3880	0.000	1	104.3880	0.000	1	103.1747	1.147	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C(C[6]C[6,6a]2O)(CClC)(H)2	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2O)(CClC)(H)2	O(C[6]C[6,6a]2C)(H)	104.0390	0.000	1	104.0390	0.000	1	103.9760	0.008	2	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C(C[6]C[6,6a]2O)(CCH)(H)2	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2O)(CCH)(H)2	O(C[6]C[6,6a]2C)(H)	103.9130	0.000	1	103.9130	0.000	1	103.9760	0.008	2	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	O(C[6]C[6,6a]2C)(H)	105.6480	0.000	1	105.6480	0.000	1	105.6480	0.000	1	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	O(C[6]C[6,6a]C[6]C)(H)	110.5120	0.000	1	110.5120	0.000	1	109.9305	6.862	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	108.4250	3.132	2	108.4250	9.812	2	109.9305	6.862	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	112.3600	0.000	1	112.3600	0.000	1	109.9305	6.862	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	O(C[6]C[6,6a]C[6]C)(H)	104.9590	0.000	1	104.9590	0.000	1	106.8520	8.771	3	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	O(C[6]C[6,6a]C[6]C)(H)	105.3320	0.000	1	105.3320	0.000	1	106.8520	8.771	3	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	O(C[6]C[6,6a]C[6]C)(H)	110.2650	0.000	1	110.2650	0.000	1	106.8520	8.771	3	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6,6a]N[5a,6]C)(H)	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	O(C[6]C[6]2C)(H)	108.1160	0.218	2	108.1160	0.047	2	106.8620	2.126	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	O(C[6]C[6]2C)(H)	105.4650	0.000	1	105.4650	0.000	1	106.8620	2.126	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	O(C[6]C[6]2C)(H)	105.7510	0.000	1	105.7510	0.000	1	106.8620	2.126	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6]N[6]C)(H)	110.7090	0.000	1	110.7090	0.000	1	110.7155	1.974	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6]N[6]C)(H)	110.7177	1.721	3	110.7177	2.961	3	110.7155	1.974	4	108.1887	8.487	19	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	112.1160	0.392	2	112.1160	0.153	2	112.1160	0.153	2	106.1458	23.017	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]H)2(CCHH)(OC)	C(C[6]C[6]2O)(CC[5]O)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CCHH)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CC[5]O)(H)2	O(C[6]C[6]2C)(CH3)	104.4850	0.649	2	104.4850	0.421	2	104.4850	0.421	2	106.1458	23.017	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:1:1:	4:4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:S-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]H)2(CHHS)(OC)	C(C[6]C[6]2O)(SC[6a]O)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CHHS)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(SC[6a]O)(H)2	O(C[6]C[6]2C)(CH3)	101.8365	0.753	2	101.8365	0.567	2	101.8365	0.567	2	106.1458	23.017	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:2:1:	4:1:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	O(C[6]C[6,6]C[6]C)(H)	109.7345	0.272	2	109.7345	0.074	2	109.7345	0.074	2	108.5033	4.584	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:3:2:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:N-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	O(C[6]C[6,6a]C[6]C)(H)	106.0410	0.000	1	106.0410	0.000	1	106.0410	0.000	1	108.5033	4.584	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	O(C[6]C[6,6a]C[6,6]C)(H)	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	109.4368	11.235	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C(C[6]C[6,6a]2O)(CCHH)(H)2	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2O)(CCHH)(H)2	O(C[6]C[6,6a]2C)(H)	104.7385	2.723	2	104.7385	7.415	2	104.7385	7.415	2	109.4368	11.235	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	O(C[6]C[6,6a]C[6]C)(H)	110.1370	1.427	3	110.1370	2.036	3	110.1370	2.036	3	109.4368	11.235	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	110.3330	0.000	1	110.3330	0.000	1	111.3040	1.886	2	109.4368	11.235	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]O)2(CCHH)(OH)	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]N[6]O)2(CCHH)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(H)	112.2750	0.000	1	112.2750	0.000	1	111.3040	1.886	2	109.4368	11.235	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:2:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]H)2(CCHH)(OO)	C(C[6]C[6]2O)(CCHN)(H)2	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]H)2(CCHH)(OO){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CCHN)(H)2	O(C[6]C[6]2C)(OH)	100.4660	0.000	1	100.4660	0.000	1	100.4660	0.000	1	100.4660	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	115.2080	0.000	1	115.2080	0.000	1	114.2025	2.022	2	114.2025	2.022	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	113.1970	0.000	1	113.1970	0.000	1	114.2025	2.022	2	114.2025	2.022	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:4:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH)	C(C[6]C[6,6a]2O)(CH3)2(H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH){1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C(C[6]C[6,6a]2O)(CH3)2(H)	O(C[6]C[6,6a]2C)(H)	110.0085	0.309	2	110.0085	0.095	2	110.0085	0.095	2	110.0085	0.095	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:4:1:	4:2:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:Ge-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	O(C[6]C[6,6a]C[6]C)(GeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	O(C[6]C[6,6a]C[6]C)(GeC[6a])	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:4:1:	4:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	O(C[6]C[6,6a]N[6]C)(CH3)	112.7665	1.056	2	112.7665	1.115	2	112.5160	0.746	3	112.5160	0.746	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:3:4:2:	4:4:4:1:	4:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	O(C[6]C[6,6a]N[6]C)(CH3)	112.0150	0.000	1	112.0150	0.000	1	112.5160	0.746	3	112.5160	0.746	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	110.9440	0.000	1	110.9440	0.000	1	111.6375	0.962	2	111.6375	0.962	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	112.3310	0.000	1	112.3310	0.000	1	111.6375	0.962	2	111.6375	0.962	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	3:4:3:1:	4:4:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	O(C[6]C[6]2C)(CH3)	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C(C[6]C[5a,6]C[6,6]O)(H)3	O(C[6]C[5a,6]C[6,6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]O)(H)3	O(C[6]C[5a,6]C[6,6]C)(H)	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	C(C[6]C[5a,6]C[6]O)(F)3	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]O)(F)3	O(C[6]C[5a,6]C[6]C)(H)	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C(C[6]C[6,6a]C[6,6]O)(H)3	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]O)(H)3	O(C[6]C[6,6a]C[6,6]C)(H)	110.4520	0.000	3	110.4520	0.000	3	110.4520	0.000	3	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	C(C[6]C[6,6a]C[6]O)(F)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(F)3	O(C[6]C[6,6a]C[6]C)(H)	104.1740	0.000	1	104.1740	0.000	1	103.2170	1.832	2	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	C(C[6]C[6,6a]C[6]O)(F)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(F)3	O(C[6]C[6,6a]C[6]C)(H)	102.2600	0.000	1	102.2600	0.000	1	103.2170	1.832	2	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	110.1250	0.000	1	110.1250	0.000	1	107.8559	8.655	7	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	103.6840	0.000	1	103.6840	0.000	1	107.8559	8.655	7	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	105.3950	0.188	2	105.3950	0.035	2	107.8559	8.655	7	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	109.5360	0.000	1	109.5360	0.000	1	107.8559	8.655	7	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	109.6620	0.000	1	109.6620	0.000	1	107.8559	8.655	7	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]O)(H)3	O(C[6]C[6,6a]C[6]C)(H)	111.1940	0.000	1	111.1940	0.000	1	107.8559	8.655	7	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.2540	0.869	4	110.2540	0.756	4	109.9169	1.668	12	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.3980	0.000	1	109.3980	0.000	1	109.9169	1.668	12	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.7430	2.107	2	108.7430	4.440	2	109.9169	1.668	12	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.2490	0.543	3	109.2490	0.295	3	109.9169	1.668	12	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH){1|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.7930	0.000	1	111.7930	0.000	1	109.9169	1.668	12	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.5630	0.000	1	111.5630	0.000	1	109.9169	1.668	12	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]N[5,6]C[6]O)(H)3	O(C[6]N[5,6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]O)(H)3	O(C[6]N[5,6]C[6]C)(H)	106.2510	0.167	2	106.2510	0.028	2	106.2510	0.028	2	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	O(C[6]N[5a,6]C[6]C)(H)	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	C(C[6]N[5a,6]C[6]O)(H)3	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]N[5a,6]C[6]O)(H)3	O(C[6]N[5a,6]C[6]C)(H)	112.6110	0.000	1	112.6110	0.000	1	111.5114	7.108	5	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	C(C[6]N[5a,6]C[6]O)(H)3	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	C(C[6]N[5a,6]C[6]O)(H)3	O(C[6]N[5a,6]C[6]C)(H)	112.7137	0.607	3	112.7137	0.368	3	111.5114	7.108	5	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	C(C[6]N[5a,6]C[6]O)(H)3	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	C(C[6]N[5a,6]C[6]O)(H)3	O(C[6]N[5a,6]C[6]C)(H)	106.8050	0.000	1	106.8050	0.000	1	111.5114	7.108	5	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C(C[6]N[6,6]C[6]O)(H)3	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	O(C[6]N[6,6]C[6]C)(H)	108.0350	0.000	1	109.2533	4.479	3	109.2533	4.479	3	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C(C[6]N[6,6]C[6]O)(H)3	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	O(C[6]N[6,6]C[6]C)(H)	108.0280	0.000	1	109.2533	4.479	3	109.2533	4.479	3	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:1:1:1:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C(C[6]N[6,6]C[6]O)(H)3	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	O(C[6]N[6,6]C[6]C)(H)	111.6970	0.000	1	109.2533	4.479	3	109.2533	4.479	3	109.1395	7.573	37	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:C-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	O(C[6]C[6,6a]C[6,6]C)(H)	104.0440	0.000	1	104.0440	0.000	1	104.0440	0.000	1	107.3695	22.118	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	107.3695	22.118	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:F-1:F-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	O(C[6]C[6,6a]C[6]C)(H)	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	107.7560	3.356	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	O(C[6]C[6,6a]C[6]C)(H)	105.9980	0.000	1	105.9980	0.000	1	107.8260	6.683	2	107.7560	3.356	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(COO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(COO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	109.6540	0.000	1	109.6540	0.000	1	107.8260	6.683	2	107.7560	3.356	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:3:1:1:	4:4:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC)	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(CF3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(CF3)	102.7240	0.000	1	102.7240	0.000	1	102.7240	0.000	1	102.7240	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	O(C[6]C[6,6a]C[6]C)(H)	108.8565	0.076	2	108.8565	0.006	2	108.8565	0.006	2	108.8565	0.006	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[5a]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	O(C[6]C[6,6a]C[6]C)(H)	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	110.9340	0.000	1	108.3820	8.937	3	108.3820	8.937	3	108.7812	3.149	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	105.0930	0.000	1	108.3820	8.937	3	108.3820	8.937	3	108.7812	3.149	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	109.1190	0.000	1	108.3820	8.937	3	108.3820	8.937	3	108.7812	3.149	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	O(C[6]C[5a,6]C[6]C)(H)	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	108.7812	3.149	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH)	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	109.4980	0.064	2	109.4980	0.004	2	109.4980	0.004	2	108.7812	3.149	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH)	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	108.3800	0.000	1	108.3800	0.000	1	108.0645	0.199	2	108.7812	3.149	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CC[6]HH)(H)2	O(C[6]C[6]2C)(H)	107.7490	0.000	1	107.7490	0.000	1	108.0645	0.199	2	108.7812	3.149	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:3:1:	4:1:	N[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:N-3:H-1:	C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	O(C[6]C[6]N[6]C)(H)	104.8780	0.000	1	104.8780	0.000	1	104.8780	0.000	1	104.8780	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	O(C[6]C[6,6a]C[6]C)(H)	104.3550	0.000	1	104.3550	0.000	1	104.3550	0.000	1	106.7130	8.142	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:4:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH)	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	107.8920	2.819	2	107.8920	7.944	2	107.8920	7.944	2	106.7130	8.142	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:4:1:	4:2:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO)	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(OH)	100.2710	0.000	1	100.2710	0.000	1	100.2710	0.000	1	100.2710	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	3:4:4:2:	4:4:4:1:	4:4:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC)	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(CH3)	106.7810	3.792	2	106.7810	14.376	2	106.7810	14.376	2	106.7810	14.376	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	C(C[6]C[3,6]O[6]O)(F)3	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[3,6]O[6]O)(F)3	O(C[6]C[3,6]O[6]C)(H)	108.9975	0.442	2	108.9975	0.195	2	108.9975	0.195	2	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH)	C(C[6]C[3,6]O[6]O)(H)3	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[3,6]O[6]O)(H)3	O(C[6]C[3,6]O[6]C)(H)	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	C(C[6]C[5,6]O[6]O)(F)3	O(C[6]C[5,6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]O[6]O)(F)3	O(C[6]C[5,6]O[6]C)(H)	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(H)	111.0830	0.000	1	111.1237	0.002	3	111.1237	0.002	3	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|Se<2>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(H)	111.1440	0.041	2	111.1237	0.002	3	111.1237	0.002	3	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	109.8480	0.000	1	109.8480	0.000	1	108.3257	4.314	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	109.4550	0.000	1	109.4550	0.000	1	108.3257	4.314	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	109.0845	0.538	4	108.1048	4.718	12	108.3257	4.314	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	109.3860	0.520	2	108.1048	4.718	12	108.3257	4.314	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|O<2>,4|C<4>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	107.7662	1.615	4	108.1048	4.718	12	108.3257	4.314	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(F)3	O(C[6]C[6]O[6]C)(H)	105.5410	4.712	2	108.1048	4.718	12	108.3257	4.314	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	112.1690	0.000	1	112.1690	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	111.0550	0.000	1	111.0550	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	111.5430	0.000	1	111.5430	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	111.8880	0.000	1	111.8880	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	113.3640	0.000	1	113.3640	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	112.3340	0.000	1	112.3340	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	111.9060	0.000	1	111.9060	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	112.7950	0.000	1	112.7950	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	112.3092	0.716	4	112.3092	0.513	4	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	113.5620	0.000	1	113.5620	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(H)	113.3890	0.000	1	113.3890	0.000	1	112.3744	0.622	14	110.3647	5.720	35	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(OH)	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(OH)	114.1870	0.000	1	114.1870	0.000	1	114.1870	0.000	1	114.1870	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[5,6]O[6]O)(H)3	O(C[6]C[5,6]O[6]C)(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]O)(H)3	O(C[6]C[5,6]O[6]C)(CH3)	113.3300	0.000	1	113.3300	0.000	1	114.3048	0.342	5	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	C(C[6]C[5,6]O[6]O)(H)3	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]O[6]O)(H)3	O(C[6]C[5,6]O[6]C)(CCHH)	114.5485	0.244	4	114.5485	0.060	4	114.3048	0.342	5	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.4740	0.000	1	113.4740	0.000	1	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	114.4935	1.112	2	114.4935	1.237	2	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	114.2590	0.000	2	113.8553	0.355	6	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.4100	0.000	2	113.8553	0.355	6	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.8970	1.025	2	113.8553	0.355	6	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	112.8990	0.000	1	112.8990	0.000	1	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.3730	0.368	2	113.0315	0.311	64	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.0205	0.561	62	113.0315	0.311	64	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CCHH)	112.7010	1.187	2	112.7010	1.408	2	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.9385	0.675	16	113.7037	0.777	56	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	114.5350	0.000	1	113.7037	0.777	56	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.0438	0.746	6	113.7037	0.777	56	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.1890	0.000	1	113.7037	0.777	56	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	114.7115	0.454	13	113.7037	0.777	56	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	113.1912	0.275	8	113.7037	0.777	56	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(CH3)	112.8753	0.532	11	113.7037	0.777	56	113.3736	0.652	132	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(SiC3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O(C[6]C[6]O[6]C)(SiC3)	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC)	C(C[6]C[6]O[6]O)(H)2(I)	O(C[6]C[6]O[6]C)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]O)(H)2(I)	O(C[6]C[6]O[6]C)(CCCH)	113.9295	0.083	2	113.9295	0.007	2	113.9295	0.007	2	113.4126	0.659	140	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:2:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	110.9630	0.086	2	110.9630	0.007	2	111.1333	1.508	11	111.1333	1.508	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:2:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	109.3340	0.000	1	109.3340	0.000	1	111.1333	1.508	11	111.1333	1.508	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:2:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OC)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(H)2	O(C[6]C[6]O[6]C)(H)	113.6280	0.000	1	113.6280	0.000	1	111.1333	1.508	11	111.1333	1.508	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:2:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	111.1190	1.047	6	111.0826	0.922	7	111.1333	1.508	11	111.1333	1.508	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:2:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(H)	110.8640	0.000	1	111.0826	0.922	7	111.1333	1.508	11	111.1333	1.508	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(CCHH)	115.5490	0.000	1	115.5490	0.000	1	114.6525	1.607	2	114.6525	1.607	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O(C[6]C[6]O[6]C)(CH3)	113.7560	0.000	1	113.7560	0.000	1	114.6525	1.607	2	114.6525	1.607	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:3:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(COO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(COO)(H)2	O(C[6]C[6]O[6]C)(H)	113.2115	1.875	2	113.2115	3.514	2	113.2115	3.514	2	110.9386	5.191	5	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:3:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NCC)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NCC)(H)2	O(C[6]C[6]O[6]C)(H)	109.4760	0.000	1	109.4760	0.000	1	109.4935	0.001	2	110.9386	5.191	5	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:3:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NCC)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NCC)(H)2	O(C[6]C[6]O[6]C)(H)	109.5110	0.000	1	109.5110	0.000	1	109.4935	0.001	2	110.9386	5.191	5	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:3:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	O(C[6]C[6]O[6]C)(H)	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	110.9386	5.191	5	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	C(C[6]C[6]N[6]O)(CH3)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH){1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]N[6]O)(CH3)(H)2	O(C[6]C[6]N[6]C)(H)	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	109.3219	9.007	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(CCHO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(CCHO)(H)2	O(C[6]C[6]O[6]C)(H)	105.1270	0.000	1	105.1270	0.000	1	106.9930	6.193	4	109.3219	9.007	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(CH3)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(CH3)(H)2	O(C[6]C[6]O[6]C)(H)	106.0910	0.000	2	106.0910	0.000	2	106.9930	6.193	4	109.3219	9.007	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(CCHO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CCHO)(H)2	O(C[6]C[6]O[6]C)(H)	110.6630	0.000	1	110.6630	0.000	1	106.9930	6.193	4	109.3219	9.007	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NCHH)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NCHH)(H)2	O(C[6]C[6]O[6]C)(H)	111.5575	0.937	2	111.5575	0.878	2	111.7170	0.515	3	109.3219	9.007	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	O(C[6]C[6]O[6]C)(H)	112.0360	0.000	1	112.0360	0.000	1	111.7170	0.515	3	109.3219	9.007	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	C(C[6]C[5,6]O[6]O)(CH3)(H)2	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]O[6]O)(CH3)(H)2	O(C[6]C[5,6]O[6]C)(CCHH)	114.5800	0.000	1	114.5800	0.000	1	114.5800	0.000	1	113.2260	2.511	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C(C[6]C[6]O[6]O)(CCHH)(H)2	O(C[6]C[6]O[6]C)(CC[6a]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(CCHH)(H)2	O(C[6]C[6]O[6]C)(CC[6a]CH)	111.4830	0.000	1	111.4830	0.000	1	112.5490	2.273	2	113.2260	2.511	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C(C[6]C[6]O[6]O)(CH3)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]O)(CH3)(H)2	O(C[6]C[6]O[6]C)(CH3)	113.6150	0.000	1	113.6150	0.000	1	112.5490	2.273	2	113.2260	2.511	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	O(C[6]C[6]N[6]C)(H)	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	108.3033	6.421	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	108.9860	0.000	1	108.9860	0.000	1	109.7060	1.037	2	108.3033	6.421	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	O(C[6]C[6]O[6]C)(H)	110.4260	0.000	1	110.4260	0.000	1	109.7060	1.037	2	108.3033	6.421	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	O(C[6]C[6]O[6]C)(CH3)	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:2:4:2:	4:4:4:2:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH){1|O<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	O(C[6]C[6]O[6]C)(H)	104.5440	0.000	1	104.5440	0.000	1	104.5440	0.000	1	104.5440	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	105.3570	0.000	1	105.3570	0.000	1	106.2285	1.519	2	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,2|C<4>}	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	107.1000	0.000	1	107.1000	0.000	1	106.2285	1.519	2	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[3x6]O)(H)3	O(C[6]C[6,6a]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[3x6]O)(H)3	O(C[6]C[6,6a]C[3x6]C)(H)	104.5825	0.261	2	104.5825	0.068	2	104.5825	0.068	2	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[3x6]C[6]O)(H)3	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[3x6]C[6]O)(H)3	O(C[6]C[3x6]C[6]C)(H)	108.7310	0.000	1	108.2967	0.171	3	108.2967	0.171	3	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[3x6]C[6]O)(H)3	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(H)3	O(C[6]C[3x6]C[6]C)(H)	108.0795	0.244	2	108.2967	0.171	3	108.2967	0.171	3	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[5,6]O)(H)3	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]O)(H)3	O(C[6]C[6,6a]C[5,6]C)(H)	107.3790	3.236	2	109.5311	4.063	7	108.8071	5.112	9	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[5,6]O)(H)3	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]O)(H)3	O(C[6]C[6,6a]C[5,6]C)(H)	110.3920	0.484	5	109.5311	4.063	7	108.8071	5.112	9	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[5,6]O)(H)3	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]O)(H)3	O(C[6]C[6,6a]C[5,6]C)(H)	106.2730	0.068	2	106.2730	0.005	2	108.8071	5.112	9	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.7690	0.577	2	110.7690	0.333	2	110.0950	9.906	11	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	104.4030	0.000	1	104.4030	0.000	1	110.0950	9.906	11	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	104.0820	0.000	1	106.2080	9.040	2	110.0950	9.906	11	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	108.3340	0.000	1	106.2080	9.040	2	110.0950	9.906	11	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.9730	0.000	1	110.9730	0.000	1	110.0950	9.906	11	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	112.3353	0.205	4	112.3430	0.032	5	110.0950	9.906	11	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	112.3740	0.000	1	112.3430	0.032	5	110.0950	9.906	11	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[6,6]O)(H)3	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]O)(H)3	O(C[6]C[6,6a]C[6,6]C)(H)	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	110.0960	0.000	1	110.0960	0.000	1	110.0054	2.657	5	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	109.1700	0.000	1	109.1700	0.000	1	110.0054	2.657	5	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	109.0475	1.003	2	109.0475	1.007	2	110.0054	2.657	5	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	112.6660	0.000	1	112.6660	0.000	1	110.0054	2.657	5	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.7506	0.478	7	109.7506	0.229	7	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	105.9710	0.000	1	105.9710	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.1410	0.000	1	106.1410	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.2290	0.000	1	110.2290	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH){2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	105.3508	0.225	5	105.3508	0.051	5	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.5800	0.000	1	109.5800	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.0530	0.000	1	107.0530	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	105.3280	0.000	1	105.3280	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.9540	0.000	1	111.9540	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.7280	0.000	1	109.9480	2.743	9	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.4352	0.284	4	109.9480	2.743	9	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.9367	2.949	3	109.9480	2.743	9	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.2530	0.000	1	109.9480	2.743	9	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH){1|C<4>,1|O<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	112.0850	0.000	1	112.0850	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.3140	0.205	2	109.2703	0.088	9	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.2579	0.332	7	109.2703	0.088	9	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	104.1860	0.205	2	104.1860	0.042	2	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.5220	0.000	1	109.5220	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.3675	2.930	2	109.6978	4.027	5	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.5847	0.902	3	109.6978	4.027	5	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	104.4530	0.000	1	104.4530	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.0740	0.000	1	111.0740	0.000	1	108.7130	5.201	48	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]O)(F)3	O(C[6]C[6]N[6]C)(H)	108.8290	1.387	12	108.5407	1.872	15	108.5407	1.872	15	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]O)(F)3	O(C[6]C[6]N[6]C)(H)	107.3877	0.180	3	108.5407	1.872	15	108.5407	1.872	15	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(H)	108.6505	3.466	2	108.6505	12.010	2	108.6505	12.010	2	108.7891	5.320	98	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:4:	C[6,6]-4:C[5,6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC)	C(C[6]C[5,6]C[6,6]O)(H)3	O(C[6]C[5,6]C[6,6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC){3|H<1>,3|O<2>,4|C<4>}	C(C[6]C[5,6]C[6,6]O)(H)3	O(C[6]C[5,6]C[6,6]C)(CH3)	107.4740	6.016	2	107.4740	36.193	2	107.4740	36.193	2	109.6633	18.934	4	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(CH3)	112.7000	0.000	1	112.7000	0.000	1	111.8525	1.437	2	109.6633	18.934	4	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:1:1:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]O)(H)3	O(C[6]C[6]N[6]C)(CH3)	111.0050	0.000	1	111.0050	0.000	1	111.8525	1.437	2	109.6633	18.934	4	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:2:1:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH)	C(C[6]C[3x6]C[6]O)(OC)(H)2	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(OC)(H)2	O(C[6]C[3x6]C[6]C)(H)	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	108.0450	3.162	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	106.0980	0.000	1	106.0980	0.000	1	107.2760	2.775	2	108.0450	3.162	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	108.4540	0.000	1	108.4540	0.000	1	107.2760	2.775	2	108.0450	3.162	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:3:1:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[3x6]C[6]O)(CCH)(H)2	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3x6]C[6]O)(CCH)(H)2	O(C[6]C[3x6]C[6]C)(H)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.5083	8.939	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:3:1:1:	4:1:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C(C[6]C[6,6]N[6]O)(CCH)(H)2	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6]C[6,6]N[6]O)(CCH)(H)2	O(C[6]C[6,6]N[6]C)(H)	106.1145	0.260	2	106.1145	0.067	2	106.1145	0.067	2	108.5083	8.939	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	112.2700	0.000	1	112.2700	0.000	1	111.4467	0.860	3	108.5083	8.939	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	111.0350	0.839	2	111.0350	0.703	2	111.4467	0.860	3	108.5083	8.939	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH)	C(C[6]C[6]2O)(NHH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(NHH)(H)2	O(C[6]C[6]2C)(H)	104.7090	0.000	1	104.7090	0.000	1	104.7090	0.000	1	108.5083	8.939	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	O(C[6]C[6,6a]C[5,6]C)(H)	109.5160	0.168	2	109.5160	0.028	2	109.5160	0.028	2	107.0302	5.383	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	O(C[6]C[6]2C)(H)	109.8310	0.000	1	109.8310	0.000	1	107.0958	3.846	4	107.0302	5.383	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CC[6]HH)(H)2	O(C[6]C[6]2C)(H)	107.1170	0.000	1	107.1170	0.000	1	107.0958	3.846	4	107.0302	5.383	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH){1|C<4>,3|H<1>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	O(C[6]C[6]2C)(H)	106.0750	0.000	1	106.0750	0.000	1	107.0958	3.846	4	107.0302	5.383	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH)	C(C[6]C[6]2O)(CC[4]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH){1|H<1>,3|C<4>}	C(C[6]C[6]2O)(CC[4]HH)(H)2	O(C[6]C[6]2C)(H)	105.3600	0.000	1	105.3600	0.000	1	107.0958	3.846	4	107.0302	5.383	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:S-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH)	C(C[6]C[6]2O)(SC[6a]OO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(SC[6a]OO)(H)2	O(C[6]C[6]2C)(H)	104.4135	0.217	2	104.4135	0.047	2	104.4135	0.047	2	107.0302	5.383	8	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(CC[6a]HH)	103.9930	0.000	1	103.9930	0.000	1	103.9930	0.000	1	107.9520	31.347	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	C(C[6]C[6]N[6]O)(CCHH)(H)2	O(C[6]C[6]N[6]C)(CCCH)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6]N[6]O)(CCHH)(H)2	O(C[6]C[6]N[6]C)(CCCH)	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	107.9520	31.347	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	O(C[6]C[3x6]C[6]C)(H)	108.9310	0.000	1	108.9310	0.000	1	107.1670	6.223	2	107.1670	6.223	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C(C[6]C[3x6]C[6]O)(CH3)2(H)	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(CH3)2(H)	O(C[6]C[3x6]C[6]C)(H)	105.4030	0.000	1	105.4030	0.000	1	107.1670	6.223	2	107.1670	6.223	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:3:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH)	C(C[6]C[6]2O)(CH3)2(OH)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH){1|H<1>,2|C<4>}	C(C[6]C[6]2O)(CH3)2(OH)	O(C[6]C[6]2C)(H)	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)2	104.7014	7.249	5	104.7014	52.547	5	105.9640	51.602	6	105.9640	51.602	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)2	112.2770	0.000	1	112.2770	0.000	1	105.9640	51.602	6	105.9640	51.602	6	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:2:4:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	110.9785	1.039	2	110.9785	1.079	2	110.9785	1.079	2	110.9785	1.079	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	109.6730	0.000	1	109.6730	0.000	1	108.9237	0.471	3	108.9237	0.471	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	108.5490	0.317	2	108.5490	0.100	2	108.9237	0.471	3	108.9237	0.471	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(OH)	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	O(C[6]C[6]2C)(H)	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	107.0470	0.000	1	107.0470	0.000	1	110.5272	14.655	4	110.5272	14.655	4	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	O(C[6]C[6]2C)(H)	107.4720	0.000	1	107.4720	0.000	1	110.5272	14.655	4	110.5272	14.655	4	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	O(C[6]C[6]2C)(H)	113.7950	1.078	2	113.7950	1.161	2	110.5272	14.655	4	110.5272	14.655	4	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	O(C[6]C[6]2C)(H)	107.9350	0.000	1	107.9350	0.000	1	108.0533	1.132	18	108.0533	1.132	18	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	O(C[6]C[6]2C)(H)	108.1783	0.567	15	108.1783	0.322	15	108.0533	1.132	18	108.0533	1.132	18	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	O(C[6]C[6]2C)(H)	107.1750	3.598	2	107.1750	12.944	2	108.0533	1.132	18	108.0533	1.132	18	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	109.2180	0.000	1	109.2180	0.000	1	108.1030	2.950	4	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	105.6120	0.000	1	105.6120	0.000	1	108.1030	2.950	4	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	109.2680	0.000	1	109.2680	0.000	1	108.1030	2.950	4	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	O(C[6]C[3,6]C[6]C)(H)	108.3140	0.000	1	108.3140	0.000	1	108.1030	2.950	4	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,5,6]C[6]O)(H)3	O(C[6]C[5,5,6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[5,5,6]C[6]O)(H)3	O(C[6]C[5,5,6]C[6]C)(H)	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	C(C[6]C[5,6,6]C[3,6]O)(H)3	O(C[6]C[5,6,6]C[3,6]C)(H)	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6,6]C[3,6]O)(H)3	O(C[6]C[5,6,6]C[3,6]C)(H)	105.1690	0.000	1	105.1690	0.000	1	105.1690	0.000	1	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	105.2307	1.100	3	105.2307	1.209	3	105.9712	6.316	11	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	102.8760	0.000	1	102.8760	0.000	1	105.9712	6.316	11	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	105.2870	0.000	1	104.8552	3.248	4	105.9712	6.316	11	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	104.7113	2.179	3	104.8552	3.248	4	105.9712	6.316	11	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	C(C[6]C[5,6,6]C[6]O)(H)3	O(C[6]C[5,6,6]C[6]C)(H)	109.2313	1.206	3	109.2313	1.455	3	105.9712	6.316	11	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C(C[6]C[5,6]C[6,6]O)(H)3	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6,6]O)(H)3	O(C[6]C[5,6]C[6,6]C)(H)	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	108.4215	0.363	2	108.4215	0.132	2	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	106.5680	2.867	2	105.9970	5.087	3	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	104.8550	0.000	1	105.9970	5.087	3	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.7510	0.000	1	110.7510	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	106.0110	0.000	1	106.0110	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.0103	0.299	3	109.2477	2.386	4	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	106.9600	0.000	1	109.2477	2.386	4	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	107.2400	0.000	1	107.2400	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	108.6270	0.000	1	108.6270	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	108.3000	0.000	1	108.3000	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	111.1310	0.000	1	111.1310	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.0780	0.000	1	110.0780	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	105.7620	0.000	1	107.9995	10.013	2	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.2370	0.000	1	107.9995	10.013	2	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	109.8400	0.000	1	109.8996	3.277	8	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.6213	0.561	6	109.8996	3.277	8	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	105.6290	0.000	1	109.8996	3.277	8	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.4800	0.000	1	110.6325	0.047	2	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.7850	0.000	1	110.6325	0.047	2	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	110.1200	0.000	1	110.1200	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	O(C[6]C[5,6]C[6]C)(H)	109.6420	0.000	1	109.6420	0.000	1	109.0062	3.977	30	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	C(C[6]C[5,6]C[6,6]O)(H)3	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[5,6]C[6,6]O)(H)3	O(C[6]C[5,6]C[6,6]C)(H)	109.6330	0.832	2	109.6330	0.691	2	109.6330	0.691	2	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	C(C[6]C[6,6]2O)(H)3	O(C[6]C[6,6]2C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	C(C[6]C[6,6]2O)(H)3	O(C[6]C[6,6]2C)(H)	107.5087	2.137	3	107.5087	4.567	3	107.5087	4.567	3	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	C(C[6]C[6,6]C[6]O)(Cl)2(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(C[6]C[6,6]C[6]O)(Cl)2(H)	O(C[6]C[6,6]C[6]C)(H)	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	109.3575	0.517	2	109.3575	0.267	2	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	110.6630	0.469	3	110.0675	1.565	4	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	108.2810	0.000	1	110.0675	1.565	4	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	107.3040	0.000	1	107.3040	0.000	1	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	110.1530	1.099	2	110.1530	1.207	2	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	110.3190	0.000	1	110.3190	0.000	1	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	107.2383	2.121	3	107.2383	4.497	3	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	107.8240	0.000	1	107.8240	0.000	1	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	108.6880	0.000	1	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	102.9480	0.000	1	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	108.1430	0.000	1	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	106.8697	2.479	3	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	109.2960	0.000	1	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	108.5640	1.935	2	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	105.3367	1.924	4	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	105.3773	2.206	7	106.2900	5.607	20	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	106.2425	2.319	2	108.1715	3.322	6	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	109.0370	0.000	1	108.1715	3.322	6	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	109.1690	0.169	3	108.1715	3.322	6	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	107.9818	0.697	4	107.9818	0.486	4	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	105.5930	0.000	1	105.5930	0.000	1	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	104.2870	0.000	1	104.2870	0.000	1	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	108.7400	0.000	1	108.7400	0.000	1	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(H)	106.9490	0.000	1	106.9490	0.000	1	107.4745	5.193	48	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCl3)(OH)	C(C[6]C[6]2O)(Cl)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(Cl)3	O(C[6]C[6]2C)(H)	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	C(C[6]C[6]2O)(Cl)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(Cl)(H)2	O(C[6]C[6]2C)(H)	107.7010	0.000	1	107.7010	0.000	1	106.4510	3.125	2	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	C(C[6]C[6]2O)(Cl)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(Cl)(H)2	O(C[6]C[6]2C)(H)	105.2010	0.000	1	105.2010	0.000	1	106.4510	3.125	2	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	107.1450	0.000	1	107.1450	0.000	1	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FF)2(CF3)(OH){1|C<4>,4|F<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	108.6107	0.168	3	108.6107	0.028	3	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	105.1460	0.000	1	105.1460	0.000	1	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	109.0340	0.000	1	106.6976	1.939	9	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	106.3860	0.000	1	106.6976	1.939	9	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	107.6880	0.000	1	106.6976	1.939	9	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	106.4970	0.000	1	106.6976	1.939	9	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	105.3370	0.000	1	106.6976	1.939	9	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	107.7420	0.000	1	106.6976	1.939	9	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	C(C[6]C[6]2O)(F)3	O(C[6]C[6]2C)(H)	105.8647	1.398	3	106.6976	1.939	9	107.0286	2.125	14	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.2020	2.992	2	107.2020	8.955	2	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	104.6940	0.000	1	104.6940	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.3530	0.123	2	107.3530	0.015	2	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.1890	0.000	1	111.1890	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.5410	0.000	1	107.6335	16.907	2	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	104.7260	0.000	1	107.6335	16.907	2	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.5000	0.000	1	106.5000	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.3230	0.000	1	110.3230	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.7930	0.044	4	110.7930	0.002	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.7293	0.578	3	110.7293	0.334	3	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.9300	0.000	1	109.9300	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.7170	0.433	4	110.7342	0.132	6	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.7685	0.308	2	110.7342	0.132	6	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.8180	0.000	1	111.8180	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.8050	0.000	1	109.8050	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.0560	0.000	1	106.8386	4.127	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.8241	2.102	15	106.8386	4.127	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.8357	1.025	6	109.8357	1.051	6	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.9620	0.000	1	109.9620	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.7930	0.000	1	107.1249	6.727	10	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.8284	2.565	9	107.1249	6.727	10	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.6005	0.537	2	109.6627	11.410	3	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	105.7870	0.000	1	109.6627	11.410	3	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.4570	0.000	1	110.4570	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)2(CH3)(OH){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.3670	0.000	1	109.3670	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.8060	2.481	3	106.8060	6.154	3	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.9900	0.146	2	109.8290	0.088	3	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.5070	0.000	1	109.8290	0.088	3	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	105.7510	0.000	1	109.1445	5.152	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.1230	0.000	1	109.1445	5.152	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.3520	0.257	2	109.1445	5.152	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.0890	0.000	1	107.0890	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.1750	2.397	4	109.1750	5.743	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.9070	0.000	1	109.9070	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.1480	0.000	1	110.1480	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.9540	0.380	2	109.9540	0.145	2	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.6765	0.094	2	108.8702	7.877	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.0640	3.251	2	108.8702	7.877	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.3551	2.156	9	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.2490	0.358	3	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.6240	0.000	1	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.9210	0.000	1	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.7925	0.107	2	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.6410	0.000	1	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.5260	0.611	2	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.7550	0.000	1	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.9355	0.879	4	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.5413	0.802	3	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.1665	0.086	2	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.3988	2.413	5	109.1828	4.169	34	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.3960	0.000	1	110.3960	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.6790	0.000	1	109.7831	3.848	14	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.6371	2.138	11	109.7831	3.848	14	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.1800	0.000	1	109.7831	3.848	14	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.0960	0.000	1	109.7831	3.848	14	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.1840	0.297	2	108.5601	3.228	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.1050	0.938	2	108.5601	3.228	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.4315	3.075	2	108.5601	3.228	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	107.9347	2.721	3	108.5601	3.228	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.8994	1.307	5	108.5601	3.228	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.6100	0.028	2	108.5601	3.228	16	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.7184	0.689	8	108.7184	0.475	8	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.4690	0.000	1	109.9130	0.618	2	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.3570	0.000	1	109.9130	0.618	2	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.2820	0.000	1	108.6118	2.103	8	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.1650	0.000	1	108.6118	2.103	8	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	105.4520	0.000	1	108.6118	2.103	8	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.6680	0.000	1	108.6118	2.103	8	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	108.8317	0.944	4	108.6118	2.103	8	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.2420	0.000	1	109.2420	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.1900	0.000	1	109.1900	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	110.1930	0.000	1	108.4790	8.513	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	111.7040	0.000	1	108.4790	8.513	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.0095	0.060	2	108.4790	8.513	4	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.2495	0.344	2	107.3532	6.172	5	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	106.0890	2.508	3	107.3532	6.172	5	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(H)	109.5890	0.000	1	109.5890	0.000	1	108.8257	4.523	182	108.3903	5.005	301	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CH)	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	110.1317	0.669	4	110.1317	0.448	4	110.2394	0.394	5	110.4058	0.504	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	O(C[6]C[6,6]C[6]C)(CH3)	110.6700	0.000	1	110.6700	0.000	1	110.2394	0.394	5	110.4058	0.504	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CCCH)	109.2990	0.000	1	109.2990	0.000	1	110.5445	0.643	6	110.4058	0.504	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CHHO)	110.7050	0.000	1	110.7050	0.000	1	110.5445	0.643	6	110.4058	0.504	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CH3)	110.5027	0.288	3	110.5027	0.083	3	110.5445	0.643	6	110.4058	0.504	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	C(C[6]C[6]2O)(H)3	O(C[6]C[6]2C)(CHHO)	111.7550	0.000	1	111.7550	0.000	1	110.5445	0.643	6	110.4058	0.504	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	O(C[6]C[5,6]C[6,6]C)(H)	105.6390	0.000	1	105.6390	0.000	1	105.6390	0.000	1	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	C(C[6]C[5,6]C[6]O)(OH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]O)(OH)(H)2	O(C[6]C[5,6]C[6]C)(H)	109.4430	0.000	1	109.4430	0.000	1	109.4647	0.783	3	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[5,6]C[6]O)(OC)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	C(C[6]C[5,6]C[6]O)(OC)(H)2	O(C[6]C[5,6]C[6]C)(H)	108.5910	0.000	1	108.5910	0.000	1	109.4647	0.783	3	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	C(C[6]C[5,6]C[6]O)(OH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]O)(OH)(H)2	O(C[6]C[5,6]C[6]C)(H)	110.3600	0.000	1	110.3600	0.000	1	109.4647	0.783	3	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	C(C[6]C[6,6]C[6]O)(OH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(OH)(H)2	O(C[6]C[6,6]C[6]C)(H)	106.6170	0.000	1	106.6170	0.000	1	106.6170	0.000	1	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	C(C[6]C[6]2O)(CC)(H)2	O(C[6]C[6]2C)(H)	107.7920	0.000	1	107.7920	0.000	1	108.6873	0.386	4	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(CC)(H)2	O(C[6]C[6]2C)(H)	109.2210	0.000	1	109.2210	0.000	1	108.6873	0.386	4	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OH)	C(C[6]C[6]2O)(CC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC)(H)2	O(C[6]C[6]2C)(H)	108.8680	0.075	2	108.8680	0.006	2	108.6873	0.386	4	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CHHN)(OH)	C(C[6]C[6]2O)(NC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHN)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(NC)(H)2	O(C[6]C[6]2C)(H)	109.6085	1.030	2	109.6085	1.061	2	109.6085	1.061	2	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	104.5770	0.000	1	104.5770	0.000	1	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	106.3025	1.053	2	106.3025	1.109	2	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	110.3690	0.000	1	110.3690	0.000	1	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	106.9110	0.000	1	106.9110	0.000	1	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	108.2440	0.000	1	108.2440	0.000	1	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	102.9870	0.000	1	102.9870	0.000	1	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	108.8660	0.000	1	108.8660	0.000	1	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	O(C[6]C[6]2C)(H)	110.9435	0.773	2	110.9435	0.597	2	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(OH)(H)2	O(C[6]C[6]2C)(H)	109.7740	0.000	1	109.7740	0.000	1	107.8382	7.211	11	108.2198	4.577	22	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6,6]C[6]O)(COO)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(COO)(H)2	O(C[6]C[6,6]C[6]C)(H)	105.3390	0.000	1	107.3760	8.299	2	107.3760	8.299	2	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6,6]C[6]O)(COO)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]O)(COO)(H)2	O(C[6]C[6,6]C[6]C)(H)	109.4130	0.000	1	107.3760	8.299	2	107.3760	8.299	2	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	108.3820	0.000	1	108.3820	0.000	1	109.1863	0.407	6	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	109.8140	0.000	1	109.8140	0.000	1	109.1863	0.407	6	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	109.7840	0.000	1	109.7840	0.000	1	109.1863	0.407	6	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(CCHH)(OH)	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	108.4890	0.000	1	108.4890	0.000	1	109.1863	0.407	6	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]2O)(CCH)(H)2	O(C[6]C[6]2C)(H)	109.5630	0.000	1	109.5630	0.000	1	109.1863	0.407	6	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OH)	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(COO)(H)2	O(C[6]C[6]2C)(H)	109.0860	0.000	1	109.0860	0.000	1	109.1863	0.407	6	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	C(C[6]C[6]2O)(NCH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(NCH)(H)2	O(C[6]C[6]2C)(H)	106.6980	0.000	1	106.6980	0.000	1	107.5625	7.892	4	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CHHN)(OH)	C(C[6]C[6]2O)(NCH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHN)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(NCH)(H)2	O(C[6]C[6]2C)(H)	107.0000	4.282	2	107.0000	18.338	2	107.5625	7.892	4	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	C(C[6]C[6]2O)(NOO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(NOO)(H)2	O(C[6]C[6]2C)(H)	109.5520	0.000	1	109.5520	0.000	1	107.5625	7.892	4	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	O(C[6]C[6]2C)(H)	105.4265	0.021	2	105.4265	0.000	2	105.4265	0.000	2	107.9266	4.398	14	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	C(C[6]C[6]2O)(CCC)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCC)(H)2	O(C[6]C[6]2C)(CH3)	108.5690	0.000	1	108.5690	0.000	1	109.5465	1.911	2	109.5465	1.911	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C(C[6]C[6]2O)(CCN)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCN)(H)2	O(C[6]C[6]2C)(CH3)	110.5240	0.000	1	110.5240	0.000	1	109.5465	1.911	2	109.5465	1.911	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	O(C[6]C[5,6]C[6]C)(H)	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[5]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CN[5]CH)(OH)	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	O(C[6]C[6]2C)(H)	110.9550	0.249	3	110.9550	0.062	3	110.9550	0.062	3	110.9550	0.062	3	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	O(C[6]C[5,6]C[6,6]C)(H)	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	O(C[6]C[5,6]C[6]C)(H)	111.7850	0.000	1	111.7850	0.000	1	109.8590	5.246	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	O(C[6]C[5,6]C[6]C)(H)	110.7160	0.000	1	110.7160	0.000	1	109.8590	5.246	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	109.1680	0.000	1	109.1680	0.000	1	109.8590	5.246	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	106.1790	0.000	1	106.1790	0.000	1	109.8590	5.246	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	111.4470	0.000	1	111.4470	0.000	1	109.8590	5.246	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	O(C[6]C[3,6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	O(C[6]C[3,6]C[6,6]C)(H)	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	108.2310	0.000	1	108.2310	0.000	1	108.0337	5.327	7	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	111.1715	0.004	2	108.0008	6.383	6	108.0337	5.327	7	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	106.3090	1.308	2	108.0008	6.383	6	108.0337	5.327	7	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	106.5220	0.014	2	108.0008	6.383	6	108.0337	5.327	7	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	O(C[6]C[6]2C)(H)	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(H)	110.9620	0.000	1	110.9620	0.000	1	108.7974	9.137	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(H)	109.9220	0.000	1	109.9220	0.000	1	108.7974	9.137	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	O(C[6]C[6]2C)(H)	106.8110	0.000	1	106.8110	0.000	1	108.7974	9.137	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	111.7380	0.000	1	111.7380	0.000	1	108.7974	9.137	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(H)	104.5540	0.000	1	104.5540	0.000	1	108.7974	9.137	5	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C(C[6]C[6]2O)2(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)2(H)2	O(C[6]C[6]2C)(H)	109.5520	0.000	1	109.5520	0.000	1	111.6680	8.955	2	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C(C[6]C[6]2O)2(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)2(H)2	O(C[6]C[6]2C)(H)	113.7840	0.000	1	113.7840	0.000	1	111.6680	8.955	2	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:S-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CClHS)(OH)	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CClHS)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	O(C[6]C[6]2C)(H)	103.8785	0.426	2	103.8785	0.182	2	103.8785	0.182	2	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:S-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	C(C[6]C[6]2O)(SNOO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(SNOO)(H)2	O(C[6]C[6]2C)(H)	109.1755	0.650	2	109.1755	0.422	2	109.1755	0.422	2	108.8698	8.320	26	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-3:	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(NC[6]C)	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(NC[6]C)	102.9200	0.728	2	102.9200	0.530	2	102.9200	0.530	2	102.9200	0.530	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(CHHO)	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.5910	0.646	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	C(C[6]C[6]2O)(CHHO)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(CHHO)(H)2	O(C[6]C[6]2C)(CH3)	111.5850	0.000	1	111.5850	0.000	1	110.5885	0.775	6	110.5910	0.646	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	O(C[6]C[6]2C)(CH3)	110.1710	0.921	3	110.1710	0.849	3	110.5885	0.775	6	110.5910	0.646	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	O(C[6]C[6]2C)(CH3)	110.7165	0.793	2	110.7165	0.628	2	110.5885	0.775	6	110.5910	0.646	7	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	C(C[6]C[6]2O)(CH3)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)(OC)(H)	O(C[6]C[6]2C)(H)	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	105.5292	3.440	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	O(C[6]C[6]2C)(H)	105.4690	1.884	9	105.3314	3.344	10	105.3314	3.344	10	105.5292	3.440	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	O(C[6]C[6]2C)(H)	104.0930	0.000	1	105.3314	3.344	10	105.3314	3.344	10	105.5292	3.440	11	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	O(C[6]C[6]2C)(SiC3)	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	C(C[6]C[3,6]C[6]O)(CH3)2(H)	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]O)(CH3)2(H)	O(C[6]C[3,6]C[6]C)(H)	106.3170	3.899	2	106.3170	15.202	2	106.3170	15.202	2	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	C(C[6]C[5,6]C[6]O)(CH3)2(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CH3)2(H)	O(C[6]C[5,6]C[6]C)(H)	109.1365	0.293	2	109.1365	0.086	2	109.1365	0.086	2	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	C(C[6]C[6,6]C[6]O)(CH3)2(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(CH3)2(H)	O(C[6]C[6,6]C[6]C)(H)	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	106.7960	0.621	2	106.7960	0.385	2	108.9069	3.434	7	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(CCCH)(OH)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	O(C[6]C[6]2C)(H)	108.4980	0.028	2	108.4980	0.001	2	108.9069	3.434	7	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	109.3000	0.000	1	109.3000	0.000	1	108.9069	3.434	7	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	O(C[6]C[6]2C)(H)	111.2300	0.153	2	111.2300	0.023	2	108.9069	3.434	7	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:P-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCHP)(OH)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHP)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	O(C[6]C[6]2C)(H)	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	108.3676	4.366	13	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	O(C[6]C[6,6]C[6]C)(H)	106.0710	0.000	1	106.0710	0.000	1	106.0710	0.000	1	106.9535	1.558	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:C-2:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC3)(OH)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	O(C[6]C[6]2C)(H)	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	106.9535	1.558	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	C(C[6]C[6]2O)(CH3)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)3	O(C[6]C[6]2C)(H)	108.1620	0.000	1	108.1620	0.000	1	108.6340	0.446	2	108.6340	0.446	2	109.3808	9.052	967	109.3432	9.008	999
466	490	893	0:SP3_SP3_SP3	C[6]	C	O	4:4:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC3)(OH)	C(C[6]C[6]2O)(CH3)3	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)3	O(C[6]C[6]2C)(H)	109.1060	0.000	1	109.1060	0.000	1	108.6340	0.446	2	108.6340	0.446	2	109.3808	9.052	967	109.3432	9.008	999
466	490	899	0:SP3_SP-NON_SP3	C[6]	C	C	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:C-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(CCHN)(C)	C(C[6]C[6]2C)(CNO)(NCC)(H)	C(C[6]C[6]2C)	C[6](C[6]C[6]FH)2(CCHN)(C){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(CNO)(NCC)(H)	C(C[6]C[6]2C)	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1
466	490	902	0:SP3_SP2_SP3	C[6]	C	C[3,6]	3:4:4:1:	4:4:4:4:	4:4:2:	C[3,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6]){2|C<4>,3|H<1>}	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1
466	490	909	0:SP3_SP2_SP3	C[6]	C	S	3:3:4:2:	3:4:1:1:	4:3:	C[6]-3:N[6]-3:C-4:S-2:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	108.1753	16.966	7	108.1753	16.966	7
466	490	909	0:SP3_SP2_SP3	C[6]	C	S	3:3:4:2:	3:4:3:1:	3:4:	C[6]-3:C[6]-3:C-4:S-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	108.1753	16.966	7	108.1753	16.966	7
466	490	909	0:SP3_SP2_SP3	C[6]	C	S	3:4:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	C(C[6]C[6,6a]C[6]S)(H)3	S(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]S)(H)3	S(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.1753	16.966	7	108.1753	16.966	7
466	490	909	0:SP3_SP2_SP3	C[6]	C	S	4:3:2:4:	4:1:1:1:	3:4:	C[6]-4:C[6]-3:S-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3)	C(C[6]C[6]2S)(H)3	S(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2S)(H)3	S(C[6a]C[6a]2)(C[6]C[6]2C)	110.9840	0.174	2	110.9840	0.030	2	110.9840	0.030	2	110.9840	0.030	2	108.1753	16.966	7	108.1753	16.966	7
466	490	909	0:SP3_SP2_SP3	C[6]	C	S	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:S-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3)	C(C[6]C[6,6]C[6]S)(H)3	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]S)(H)3	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)	100.9600	0.000	1	100.9600	0.000	1	100.9600	0.000	1	100.9600	0.000	1	108.1753	16.966	7	108.1753	16.966	7
466	490	909	0:SP3_SP2_SP3	C[6]	C	S	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:S-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH)	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	S(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH){2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	S(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	108.1753	16.966	7	108.1753	16.966	7
466	490	909	0:SP3_SP3_SP3	C[6]	C	S	3:3:4:2:	4:3:1:1:	4:2:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:S-2:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	S(C[6]C[6]N[6]C)(SS)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	S(C[6]C[6]N[6]C)(SS)	102.2900	1.363	2	102.2900	1.859	2	102.2900	1.859	2	102.2900	1.859	2	107.2477	22.693	6	107.2477	22.693	6
466	490	909	0:SP3_SP3_SP3	C[6]	C	S	3:3:4:2:	4:3:1:1:	4:4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	S(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	S(C[6]C[6]N[6]C)(CH3)	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	107.2477	22.693	6	107.2477	22.693	6
466	490	909	0:SP3_SP3_SP3	C[6]	C	S	3:3:4:2:	4:4:4:1:	4:4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	C(C[6]C[6]N[6]S)(CH3)2(H)	S(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]S)(CH3)2(H)	S(C[6]C[6]N[6]C)(CH3)	114.6560	0.000	1	114.6560	0.000	1	114.6560	0.000	1	114.6560	0.000	1	107.2477	22.693	6	107.2477	22.693	6
466	490	909	0:SP3_SP3_SP3	C[6]	C	S	4:3:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-3:C-4:S-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC)	C(C[6]C[6]2S)(H)3	S(C[6]C[6]2C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(H)3	S(C[6]C[6]2C)(CCHH)	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	107.2477	22.693	6	107.2477	22.693	6
466	490	909	0:SP3_SP3_SP3	C[6]	C	S	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:C-4:S-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP)	C(C[6]C[6]2S)(H)3	S(C[6]C[6]2C)(PC[6a]CS)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(H)3	S(C[6]C[6]2C)(PC[6a]CS)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	107.2477	22.693	6	107.2477	22.693	6
466	490	914	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:4:2:4:	4:3:1:1:	3:4:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[3x6]-4:	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	109.8357	0.095	3	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:3:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	109.7300	0.351	2	109.7300	0.123	2	109.7300	0.123	2	109.7300	0.123	2	109.8357	0.095	3	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:2:4:	4:1:1:1:	4:3:	C[6,6]-4:O[6]-2:N[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[5,6]N[5,6]S[5])	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[5,6]N[5,6]S[5]){1|C<3>,2|H<1>,3|C<4>}	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]N[6]O[6]H)(H)3	N[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	111.5230	0.000	1	111.5230	0.000	1	111.5230	0.000	1	111.5230	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:2:4:1:	4:4:4:1:	4:3:	N[6]-2:N[6]-2:C-4:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6])2(CSi2H)(H)	C(C[6]N[6]2H)(SiC3)2(H)	N[6](C[6]N[6]CH)(C[6]N[6]H)	C[6](N[6]C[6])2(CSi2H)(H){1|N<2>,2|H<1>}	C(C[6]N[6]2H)(SiC3)2(H)	N[6](C[6]N[6]CH)(C[6]N[6]H){1|C<3>}	110.5960	1.478	2	110.7073	0.745	4	110.7073	0.745	4	110.7073	0.745	4	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:2:4:1:	4:4:4:1:	4:3:	N[6]-2:N[6]-2:C-4:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6])2(CSi2H)(H)	C(C[6]N[6]2H)(SiC3)2(H)	N[6](C[6]N[6]CH)(C[6]N[6]H)	C[6](N[6]C[6])2(CSi2H)(H){1|N<3>,2|H<1>}	C(C[6]N[6]2H)(SiC3)2(H)	N[6](C[6]N[6]CH)(C[6]N[6]H){1|C<3>,1|H<1>}	110.8185	0.036	2	110.7073	0.745	4	110.7073	0.745	4	110.7073	0.745	4	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:2:4:4:	4:1:1:1:	4:3:	N[6]-2:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6])2(CF3)2	C(C[6]N[6]2C)(F)3	N[6](C[6]N[6]CC)(C[6]N[6]C)	C[6](N[6]C[6])2(CF3)2{1|C<4>,1|F<1>,1|N<2>}	C(C[6]N[6]2C)(F)3	N[6](C[6]N[6]CC)(C[6]N[6]C){1|C<3>}	106.8270	0.000	1	106.8270	0.000	1	107.0285	0.081	2	107.0285	0.081	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:2:4:4:	4:1:1:1:	4:3:	N[6]-2:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6])2(CF3)2	C(C[6]N[6]2C)(F)3	N[6](C[6]N[6]CC)(C[6]N[6]F)	C[6](N[6]C[6])2(CF3)2{1|C<4>,1|F<1>,1|N<2>}	C(C[6]N[6]2C)(F)3	N[6](C[6]N[6]CC)(C[6]N[6]F){1|C<3>}	107.2300	0.000	1	107.2300	0.000	1	107.0285	0.081	2	107.0285	0.081	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:2:4:4:	4:4:1:1:	3:4:	N[6]-2:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,3|C<3>}	110.1885	2.730	6	110.1885	7.455	6	110.1885	7.455	6	109.3438	4.190	12	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:2:4:4:	4:4:1:1:	3:4:	N[6]-2:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC){2|C<3>}	108.4990	0.223	6	108.4990	0.050	6	108.4990	0.050	6	109.3438	4.190	12	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	111.5340	3.417	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	111.5340	3.417	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.4366	1.106	5	112.4366	1.223	5	112.4366	1.223	5	111.5340	3.417	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:2:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	114.5930	0.044	2	114.5930	0.002	2	114.5930	0.002	2	114.5930	0.002	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:3:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.7980	0.000	1	110.7980	0.000	1	111.1895	1.065	4	111.1895	1.065	4	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:3:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.6275	0.336	2	111.3200	1.495	3	111.1895	1.065	4	111.1895	1.065	4	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:3:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.7050	0.000	1	111.3200	1.495	3	111.1895	1.065	4	111.1895	1.065	4	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.4260	0.000	1	110.9156	0.943	5	110.9156	0.943	5	110.9156	0.943	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:3:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.0380	1.076	4	110.9156	0.943	5	110.9156	0.943	5	110.9156	0.943	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:1:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.7380	0.000	1	110.7380	0.000	1	111.4120	0.909	2	110.6462	0.732	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:1:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	112.0860	0.000	1	112.0860	0.000	1	111.4120	0.909	2	110.6462	0.732	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:1:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.3450	0.000	1	110.1357	0.033	3	110.1357	0.033	3	110.6462	0.732	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:1:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.0310	0.016	2	110.1357	0.033	3	110.1357	0.033	3	110.6462	0.732	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.4587	0.669	4	109.4587	0.447	4	109.4587	0.447	4	110.0284	1.958	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	112.3070	0.000	1	112.3070	0.000	1	112.3070	0.000	1	110.0284	1.958	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:3:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[3x6]-3:C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:3:2:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[3x6]-3:C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[3x6]-3:C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	109.7257	2.300	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	111.4770	0.000	1	111.4770	0.000	1	110.1650	3.443	2	109.7257	2.300	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	108.8530	0.000	1	108.8530	0.000	1	110.1650	3.443	2	109.7257	2.300	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	3:4:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3){2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.1370	0.074	2	106.1370	0.005	2	106.1370	0.005	2	106.4017	0.213	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	3:4:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.9310	0.000	1	106.9310	0.000	1	106.9310	0.000	1	106.4017	0.213	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.8100	0.000	1	107.8100	0.000	1	108.2180	0.333	2	108.8405	0.323	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.6260	0.000	1	108.6260	0.000	1	108.2180	0.333	2	108.8405	0.323	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.4773	0.256	3	109.4773	0.065	3	109.0609	0.270	7	108.8405	0.323	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.0740	0.276	2	109.0740	0.076	2	109.0609	0.270	7	108.8405	0.323	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.4230	0.280	2	108.4230	0.078	2	109.0609	0.270	7	108.8405	0.323	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:	N[6]-2:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC){1|H<1>,1|N<2>,3|C<3>}	108.6915	0.337	2	108.6915	0.114	2	108.6915	0.114	2	108.8405	0.323	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCH)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(CCH)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	105.9020	0.000	1	105.9020	0.000	1	105.9020	0.000	1	107.3214	1.440	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(CCC)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.6650	0.000	1	106.6650	0.000	1	107.2125	0.600	2	107.3214	1.440	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(COO)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(COO)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.7600	0.000	1	107.7600	0.000	1	107.2125	0.600	2	107.3214	1.440	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.0730	0.000	1	108.0730	0.000	1	108.0030	2.221	3	107.3214	1.440	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2{2|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.9680	2.106	2	107.9680	4.434	2	108.0030	2.221	3	107.3214	1.440	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:3:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.9140	0.000	1	106.9140	0.000	1	106.9140	0.000	1	107.3214	1.440	7	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:4:1:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	2:4:4:1:	4:1:1:1:	3:4:	N[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	C(C[6]C[6a]N[6]O[6])(F)(H)2	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]O[6])(F)(H)2	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:3:4:	4:1:1:1:	3:4:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,2|N<2>,4|C<3>}	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:1:1:1:	4:2:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6])	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6]){1|N<2>,2|C<3>}	110.7360	0.358	2	110.7360	0.128	2	111.2977	1.010	3	111.2977	1.010	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:1:1:1:	4:2:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H)	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6])	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H){1|C<3>}	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>}	112.4210	0.000	1	112.4210	0.000	1	111.2977	1.010	3	111.2977	1.010	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:2:1:1:	3:4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CN)(H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(CN)(H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]CH){4|C<3>}	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:3:1:1:	4:4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO){2|C<3>}	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:1:1:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.0540	0.000	1	109.0540	0.000	1	109.0540	0.000	1	109.0540	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:2:1:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H){1|C<4>,1|O<2>}	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:1:	3:4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|C<4>,1|N<2>,2|O<2>}	110.0990	0.000	1	110.3083	0.110	3	110.5622	0.215	5	110.5622	0.215	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:1:	3:4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<4>}	110.4130	0.393	2	110.3083	0.110	3	110.5622	0.215	5	110.5622	0.215	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:1:	3:4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<4>}	110.9430	0.393	2	110.9430	0.155	2	110.5622	0.215	5	110.5622	0.215	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.5863	0.649	3	109.9932	0.536	5	109.9932	0.536	5	109.9932	0.536	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	110.6035	0.250	2	109.9932	0.536	5	109.9932	0.536	5	109.9932	0.536	5	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:4:	4:3:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	C(C[6]N[6]2H)(CH3)3	N[6](C[6]N[6]CH)(C[6]C[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]N[6]2H)(CH3)3	N[6](C[6]N[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:3:	4:1:1:1:	3:4:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC){1|H<1>,2|C<4>,3|C<3>}	103.9035	2.439	2	103.9035	5.948	2	104.8730	5.794	3	104.8730	5.794	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:3:	4:1:1:1:	3:4:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	N[6](C[6]C[6a]C[6])(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[6]C[6a]C[6])(C[6]N[6]CC){1|C<4>,4|C<3>}	106.8120	0.000	1	106.8120	0.000	1	104.8730	5.794	3	104.8730	5.794	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:3:	4:1:1:1:	4:3:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	N[6](C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[6]N[6]CC)(C[6]C[6]H){3|C<3>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC)	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2{3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	106.7420	0.871	2	106.7420	0.759	2	107.7915	1.114	6	107.6316	3.079	18	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2{1|N<3>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]CC){1|H<1>,1|N<2>,3|C<3>}	108.3162	0.709	4	108.3162	0.503	4	107.7915	1.114	6	107.6316	3.079	18	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	N[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2	C(C[6]N[6]2C)(F)3	N[6](N[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(F)3	N[6](N[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	105.5520	1.585	4	105.5520	2.512	4	105.5520	2.512	4	107.6316	3.079	18	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2{1|O<1>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	109.5285	2.781	2	109.5285	7.734	2	109.5285	7.734	2	107.6316	3.079	18	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<3>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[5a,6]C)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	107.2500	0.837	2	107.2500	0.701	2	108.2257	0.948	6	107.6316	3.079	18	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[5a,6]N)(C[6]N[6]CC)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<2>,2|N<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[5a,6]N)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	108.7135	0.628	4	108.7135	0.395	4	108.2257	0.948	6	107.6316	3.079	18	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.4730	0.115	2	107.4730	0.013	2	107.4730	0.013	2	107.4730	0.013	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:4:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO){2|C<3>}	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	106.9100	2.304	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6]TaC)(C[6]N[6]CC)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2{1|Ta<12>,1|C<4>,1|C<5>,1|H<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6]TaC)(C[6]N[6]CC){1|C<3>,1|C<4>,1|N<3>}	107.2620	1.966	2	107.2620	3.864	2	107.2620	3.864	2	106.9100	2.304	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:4:1:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	109.1350	1.798	6	109.1350	3.231	6	109.1350	3.231	6	109.1350	3.231	6	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:4:1:1:	4:4:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO){2|C<3>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:4:4:1:	4:3:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3)	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.7120	0.494	2	109.7120	0.244	2	109.7120	0.244	2	109.7120	0.244	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:2:4:	4:4:4:2:	4:3:	C[6]-3:C[6a]-3:N[6]-2:C-4:	C[6]-4:C-4:C-4:C-2:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl){1|H<1>,1|N<2>,3|C<3>}	104.1210	0.000	1	104.1210	0.000	1	104.1210	0.000	1	104.1210	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:1:	3:4:1:1:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:1:	4:3:1:1:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.3423	0.380	6	109.3423	0.144	6	109.3423	0.144	6	109.3423	0.144	6	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:1:	4:3:1:1:	4:4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:1:	4:3:2:1:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:1:	4:3:3:1:	4:3:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,4|C<3>}	108.7710	0.000	2	108.7710	0.000	2	108.5573	0.137	3	108.5573	0.137	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:1:	4:3:3:1:	4:3:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	108.1300	0.000	1	108.1300	0.000	1	108.5573	0.137	3	108.5573	0.137	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:1:	4:3:4:1:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	3:4:1:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:1:1:1:	3:4:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	107.1820	0.000	1	107.1820	0.000	1	107.4429	0.169	7	107.0746	0.531	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	107.3045	0.022	2	107.3045	0.000	2	107.4429	0.169	7	107.0746	0.531	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.6645	0.824	2	107.6645	0.679	2	107.4429	0.169	7	107.0746	0.531	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.4900	0.352	2	107.4900	0.124	2	107.4429	0.169	7	107.0746	0.531	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N){1|C<4>,2|C<3>,2|H<1>}	106.3975	0.404	2	106.3975	0.163	2	106.3975	0.163	2	107.0746	0.531	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C(C[6]C[6a]C[6]N[6])(H)2(I)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)2(I)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C){1|C<4>,2|C<3>,2|H<1>}	106.4630	1.232	2	106.4630	1.517	2	106.4630	1.517	2	107.0746	0.531	11	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:3:1:1:	3:4:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:3:1:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	107.1820	0.274	2	107.1820	0.075	2	107.1820	0.075	2	107.1820	0.075	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:3:2:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.1420	1.372	2	107.1420	1.882	2	107.1420	1.882	2	107.1420	1.882	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:3:4:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.1490	0.099	2	109.1490	0.010	2	109.1490	0.010	2	108.8250	0.320	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:2:4:	4:3:4:1:	4:3:	C[6]-3:C-4:N[6]-2:O-4:	C[6]-4:C[6a]-3:N-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	N[6](C[6]C[6]CO)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	N[6](C[6]C[6]CO)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	108.8250	0.320	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]O[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	109.1845	0.196	2	109.1845	0.038	2	109.1367	0.026	3	109.1367	0.026	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H){4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|H<1>,1|N<2>,4|C<3>}	109.0410	0.000	1	109.0410	0.000	1	109.1367	0.026	3	109.1367	0.026	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(SC[6a])(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	110.1250	0.000	1	110.1250	0.000	1	110.1250	0.000	1	110.1250	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	S[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](S[6]N[6,6]OO)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](S[6]N[6,6]OO)(C[6]C[6]CH){2|C<4>,2|H<1>}	106.7605	0.917	2	106.7605	0.841	2	106.7605	0.841	2	106.7605	0.841	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:1:	4:4:2:1:	3:4:	C[5,6]-4:N[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5a,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	112.0935	0.417	4	112.0935	0.174	4	112.0935	0.174	4	112.0935	0.174	4	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C(C[6]C[6]N[6]O)(H)3	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>}	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	106.9380	0.000	1	106.9380	0.000	1	106.6257	0.127	3	106.6257	0.127	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C(C[6]C[6]N[6]O)(H)3	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>}	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6a]Se[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	106.4695	0.329	2	106.4695	0.108	2	106.6257	0.127	3	106.6257	0.127	3	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:2:	4:4:1:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	C(C[6]C[6]N[6]O)(CH3)(H)2	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>}	C(C[6]C[6]N[6]O)(CH3)(H)2	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	105.6370	0.000	1	105.6370	0.000	1	105.6370	0.000	1	105.6370	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:2:	4:4:2:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C-4:N-2:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	C(C[6]C[6]N[6]O)(CH3)(NC)(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>}	C(C[6]C[6]N[6]O)(CH3)(NC)(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>}	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:3:	4:1:1:1:	3:4:	C[6]-4:N[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:4:	4:1:1:1:	3:4:	Si[6]-4:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2	C(C[6]Si[6]N[6]C)(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]Si[6]CC)	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]Si[6]N[6]C)(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]Si[6]CC){3|C<3>,4|C<4>}	106.0380	0.853	2	106.0380	0.727	2	106.0380	0.727	2	106.0380	0.727	2	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6,6]-4:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6]C[6,6]CC)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6]C[6,6]CC)(C[6]C[6,6]C){1|C<3>,2|C<4>,2|H<1>}	105.5615	0.412	2	105.5615	0.170	2	105.5615	0.170	2	106.1165	0.317	6	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]C){1|C<4>,4|H<1>}	106.3940	0.405	4	106.3940	0.164	4	106.3940	0.164	4	106.1165	0.317	6	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:2:4:	4:1:1:1:	4:3:	C[6]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3)	C(C[6]C[6]2N[6])(H)3	N[6](C[6]C[6]2C)(C[6]C[6]O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2N[6])(H)3	N[6](C[6]C[6]2C)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	108.7988	4.342	193	108.8152	4.271	197
466	490	914	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:2:4:	4:3:1:1:	4:3:	C[5]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH)	C(C[6]C[5]C[6]N[6])(CCH)(H)2	N[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5]C[6]N[6])(CCH)(H)2	N[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|N<2>,2|C<4>,2|H<1>,2|O<2>}	109.2120	0.826	2	109.2120	0.682	2	109.2120	0.682	2	109.2120	0.682	2	108.7988	4.342	193	108.8152	4.271	197
466	490	922	0:SP3_SP3_SP3	C[3x6]	C	S[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	S[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3)	C(C[3x6]C[6,6]2S[6,6])(H)3	S[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(C[6a]C[6a]2)	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[3x6]C[6,6]2S[6,6])(H)3	S[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	108.8435	0.445	2	108.8435	0.198	2	108.8435	0.198	2	108.8435	0.198	2	108.8435	0.198	2	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	3:2:4:1:	4:1:1:1:	4:4:2:	S[6]-3:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](S[6]C[6]N)(S[6]C[6])(CH3)(H)	C(C[6]S[6]2H)(H)3	S[6](C[6]S[6]CH)2(NS)	C[6](S[6]C[6]N)(S[6]C[6])(CH3)(H){1|C<4>,1|S<2>,3|H<1>}	C(C[6]S[6]2H)(H)3	S[6](C[6]S[6]CH)2(NS){1|C<4>}	109.2905	0.729	2	109.2905	0.531	2	109.2905	0.531	2	109.2905	0.531	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	3:2:4:4:	4:1:1:1:	4:4:1:	S[6]-3:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](S[6]C[6]O)(S[6]C[6])(CH3)2	C(C[6]S[6]2C)(H)3	S[6](C[6]C[6]CH)(C[6]S[6]CC)(O)	C[6](S[6]C[6]O)(S[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]S[6]2C)(H)3	S[6](C[6]C[6]CH)(C[6]S[6]CC)(O){1|C<4>,2|H<1>}	106.5990	2.384	2	106.5990	5.685	2	106.5990	5.685	2	106.5990	5.685	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(N[6]C[6]S)(O)	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	3:3:4:1:	4:2:1:1:	4:4:1:	S[6]-3:S[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](S[6]C[6]O)2(CHHO)(H)	C(C[6]S[6]2H)(OC)(H)2	S[6](C[6]C[6]HH)(C[6]S[6]CH)(O)	C[6](S[6]C[6]O)2(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]S[6]2H)(OC)(H)2	S[6](C[6]C[6]HH)(C[6]S[6]CH)(O){1|C<4>,1|O<1>,2|H<1>}	110.2015	1.203	2	110.2015	1.447	2	110.2015	1.447	2	110.2015	1.447	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	3:4:4:1:	4:1:1:1:	4:4:1:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[6,6]C[6]2S[6])(C[6]C[6]CH)(O)	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[6,6]C[6]2S[6])(C[6]C[6]CH)(O){4|C<4>,5|H<1>}	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	3:4:4:1:	4:3:1:1:	4:4:1:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]CH)(O)	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]CH)(O){4|C<4>,5|H<1>}	109.1540	1.157	2	109.1540	1.338	2	109.1540	1.338	2	109.1540	1.338	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	3:4:4:4:	4:1:1:1:	3:4:1:	S[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]S[6]C)(H)3	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]S[6]C)(H)3	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	108.3355	4.187	2	108.3355	17.529	2	108.3355	17.529	2	108.3355	17.529	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	4:3:2:4:	4:1:1:1:	4:4:1:	C[6]-4:S[6]-3:S[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3)	C(C[6]C[6]S[6]2)(H)3	S[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]S[6]2)(H)3	S[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,3|H<1>}	108.4030	0.561	2	108.4030	0.315	2	108.4030	0.315	2	108.4030	0.315	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	4:3:3:1:	3:4:4:1:	4:4:1:	C-4:S[6]-3:S[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](CC[6a]C[6]H)(S[6]C[6]O)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH)(O)	C[6](CC[6a]C[6]H)(S[6]C[6]O)2(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH)(O){1|C<4>,1|O<1>,2|H<1>}	112.2240	4.453	2	112.2240	19.832	2	112.2240	19.832	2	112.2240	19.832	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]S[6]C)(O)	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]S[6]C)(O){1|C<4>,2|H<1>}	106.8220	0.673	2	106.8220	0.453	2	106.8220	0.453	2	106.8220	0.453	2	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]S[6]CC)(O)	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]S[6]CC)(O){1|C<4>,2|H<1>}	105.8600	0.000	1	105.8600	0.000	1	109.0310	12.038	3	109.0310	12.038	3	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|H<1>}	110.6165	2.999	2	110.6165	8.993	2	109.0310	12.038	3	109.0310	12.038	3	108.6755	6.674	22	108.6895	6.105	24
466	490	922	0:SP3_SP3_SP3	C[6]	C	S[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H)	C(C[6]C[6]S[6]H)(CCH)(H)2	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]S[6]H)(CCH)(H)2	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	108.6755	6.674	22	108.6895	6.105	24
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	3:2:4:1:	4:1:1:1:	4:	C[6]-3:O[6]-2:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br)	C(C[6]C[6]O[6]Br)(H)3	Br(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]Br)(H)3	Br(C[6]C[6]O[6]C)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	3:3:4:1:	4:3:4:1:	4:	C[6]-3:C[6]-3:C-4:Br-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br)	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	Br(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br){2|C<3>}	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	Br(C[6]C[6]2C)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br)	C(C[6]C[6]2Br)(H)3	Br(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2Br)(H)3	Br(C[6]C[6]2C)	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br)	C(C[6]C[6]2Br)(OC)(H)2	Br(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br){1|C<3>,2|C<4>}	C(C[6]C[6]2Br)(OC)(H)2	Br(C[6]C[6]2C)	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br)	C(C[6]C[6]2Br)(CCHH)(H)2	Br(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br){1|O<2>,1|S<4>,3|C<3>}	C(C[6]C[6]2Br)(CCHH)(H)2	Br(C[6]C[6]2C)	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br)	C(C[6]C[5,6]C[6]Br)(H)3	Br(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br){1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]Br)(H)3	Br(C[6]C[5,6]C[6]C)	104.4740	0.000	1	104.4740	0.000	1	104.4740	0.000	1	105.8076	3.874	5	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br)	C(C[6]C[6,6]C[6]Br)(H)3	Br(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]Br)(H)3	Br(C[6]C[6,6]C[6]C)	105.4420	0.000	1	105.4420	0.000	1	105.4420	0.000	1	105.8076	3.874	5	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(CBrHH)(Br)	C(C[6]C[6]2Br)(Br)(H)2	Br(C[6]C[6]2C)	C[6](C[6]O[6]HH)2(CBrHH)(Br){1|P<4>}	C(C[6]C[6]2Br)(Br)(H)2	Br(C[6]C[6]2C)	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	105.8076	3.874	5	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br)	C(C[6]C[6]2Br)(H)3	Br(C[6]C[6]2C)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2Br)(H)3	Br(C[6]C[6]2C)	103.8330	0.000	1	103.8330	0.000	1	105.1330	3.380	2	105.8076	3.874	5	107.3870	5.184	10	107.3870	5.184	10
466	490	924	0:SP3_SP-NON_SP3	C[6]	C	Br	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(Br)	C(C[6]C[6]2Br)(H)3	Br(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(Br){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2Br)(H)3	Br(C[6]C[6]2C)	106.4330	0.000	1	106.4330	0.000	1	105.1330	3.380	2	105.8076	3.874	5	107.3870	5.184	10	107.3870	5.184	10
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:3:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	106.8540	0.000	1	106.8540	0.000	1	106.8540	0.000	1	106.8540	0.000	1	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:3:4:3:	4:3:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO)	C(C[6,6]C[3x6]C[6,6]C)(CCH)(H)2	C(C[6,6]C[3x6]C[6,6]C)(CCHH)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO){3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(CCH)(H)2	C(C[6,6]C[3x6]C[6,6]C)(CCHH)(O)	106.8080	0.000	2	106.8080	0.000	2	106.8080	0.000	2	106.8080	0.000	2	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:3:4:3:	4:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O){1|C<3>,6|C<4>}	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3)	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3){2|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	103.8640	0.000	1	103.8640	0.000	1	103.8640	0.000	1	103.8640	0.000	1	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:3:4:	4:3:1:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[6,6]-4:N-3:H-1:H-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN)	C(C[6,6]C[3x6]2C)(NCH)(H)2	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2C)(NCH)(H)2	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	105.5400	0.000	1	105.5400	0.000	1	105.5400	0.000	1	105.5400	0.000	1	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:3:4:	4:4:1:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH)	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(O)	103.8790	0.007	2	103.8790	0.000	2	103.8790	0.000	2	103.5228	0.399	4	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:3:4:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH)	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(O)	103.1665	0.829	2	103.1665	0.688	2	103.1665	0.688	2	103.5228	0.399	4	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[4x6]-4:C[5,6,6]-4:C-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:O-1:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO)	C(C[6,6]C[5,6,6]C[4x6]C)(H)3	C(C[6,6]C[5,6,6]C[4x6]C)(H)(O)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[5,6,6]C[4x6]C)(H)3	C(C[6,6]C[5,6,6]C[4x6]C)(H)(O)	110.1415	1.030	2	110.1415	1.061	2	110.1415	1.061	2	110.1415	1.061	2	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO)	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(OC)(O)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(OC)(O)	107.7670	0.000	1	107.7670	0.000	1	106.6990	2.281	2	108.5102	4.845	5	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO)	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(OC)(O)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(OC)(O)	105.6310	0.000	1	105.6310	0.000	1	106.6990	2.281	2	108.5102	4.845	5	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C-2:H-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(CC[6])(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(CC[6])(H)	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	108.5102	4.845	5	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	111.7230	0.000	1	111.7230	0.000	1	110.3475	3.784	2	108.5102	4.845	5	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO){1|N<3>,2|C<3>,2|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	108.9720	0.000	1	108.9720	0.000	1	110.3475	3.784	2	108.5102	4.845	5	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:3:3:1:	4:2:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:C-3:C-3:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO)	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6,6]	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,5,3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH)	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	107.1884	7.709	19	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:2:3:4:	4:1:1:1:	3:4:1:	S[6]-2:S[6]-2:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](S[6]C[6])2(CC[6a]O)(CH3)	C(C[6]S[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]S[6]2C)(O)	C[6](S[6]C[6])2(CC[6a]O)(CH3){1|C<4>,4|H<1>}	C(C[6]S[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]S[6]2C)(O)	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:2:4:3:	4:1:1:1:	4:1:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](O[6]C[6])2(CH3)(CHH)	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)2	111.1270	0.000	1	110.9970	0.034	2	110.9970	0.034	2	110.9970	0.034	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:2:4:3:	4:1:1:1:	4:1:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](O[6]C[6])2(CH3)(CHH)	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH){1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)2	110.8670	0.000	1	110.9970	0.034	2	110.9970	0.034	2	110.9970	0.034	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:2:4:3:	4:1:1:1:	4:3:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(CHH)(H)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(CHH)(H)	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:2:4:3:	4:4:3:1:	4:2:1:	S[6]-2:S[6]-2:C-4:C-3:	C[6]-4:C-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6](S[6]C[6])2(CCCH)(COO)	C(C[6]S[6]2C)(CH3)(CCH)(H)	C(C[6]S[6]2C)(OH)(O)	C[6](S[6]C[6])2(CCCH)(COO){1|C<4>,4|H<1>}	C(C[6]S[6]2C)(CH3)(CCH)(H)	C(C[6]S[6]2C)(OH)(O)	112.7975	3.560	2	112.7975	12.676	2	112.7975	12.676	2	112.7975	12.676	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:2:4:3:	4:4:4:4:	4:3:2:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-3:C-2:	C[6](O[6]C[6])2(CC3)(CCC)	C(C[6]O[6]2C)(CH3)3	C(C[6]O[6]2C)(CCO)(CO)	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(CH3)3	C(C[6]O[6]2C)(CCO)(CO)	117.0490	0.000	1	117.0490	0.000	1	117.0490	0.000	1	117.0490	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:3:4:3:	4:1:1:1:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	109.8350	0.000	1	109.8350	0.000	1	110.3460	0.515	4	110.3460	0.515	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:3:4:3:	4:1:1:1:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	110.4135	1.064	2	110.4135	1.133	2	110.3460	0.515	4	110.3460	0.515	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:3:4:3:	4:1:1:1:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO){3|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	110.7220	0.000	1	110.7220	0.000	1	110.3460	0.515	4	110.3460	0.515	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:3:4:3:	4:1:1:1:	4:3:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCH)(H)	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:4:4:3:	4:1:1:1:	4:2:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	107.4410	0.127	2	107.4410	0.016	2	107.4410	0.016	2	107.4410	0.016	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:4:4:3:	4:1:1:1:	4:3:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	108.5285	0.474	2	108.5285	0.225	2	108.5285	0.225	2	108.7163	0.123	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	2:4:4:3:	4:1:1:1:	4:3:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(NHH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(NHH)(O)	108.9040	0.045	2	108.9040	0.002	2	108.9040	0.002	2	108.7163	0.123	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:2:4:3:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	108.8047	0.780	4	108.8047	0.609	4	108.5970	0.673	5	109.3237	2.594	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:2:4:3:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-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]H)(O[6]O[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO){2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	107.7660	0.000	1	107.7660	0.000	1	108.5970	0.673	5	109.3237	2.594	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:2:4:3:	4:1:1:1:	4:2:1:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(OC)(O)	111.3215	2.715	2	111.3215	7.369	2	110.2320	4.039	4	109.3237	2.594	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:2:4:3:	4:1:1:1:	4:2:1:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(OC)(O)	109.1550	0.000	1	109.1425	0.000	2	110.2320	4.039	4	109.3237	2.594	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:2:4:3:	4:1:1:1:	4:2:1:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(OC)(O)	109.1300	0.000	1	109.1425	0.000	2	110.2320	4.039	4	109.3237	2.594	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:2:4:3:	4:1:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCHH)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCHH)(O)	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:2:4:3:	4:4:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO)	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(OC)(O)	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:2:1:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO)	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(OC)(O)	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(OC)(O)	113.4450	0.000	1	113.4450	0.000	1	113.4450	0.000	1	108.3571	3.387	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:2:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO)	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(OC)(O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO){5|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(OC)(O)	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	108.3571	3.387	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO)	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(OC)(O)	108.8920	0.171	2	108.8920	0.029	2	108.8920	0.029	2	108.3571	3.387	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	108.5375	0.368	2	108.5375	0.136	2	108.5375	0.136	2	108.3571	3.387	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:2:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	107.3396	0.605	7	107.3396	0.367	7	107.3396	0.367	7	108.3571	3.387	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:2:1:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(OC)(O)	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	108.3571	3.387	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:2:2:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-2:S-2:	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(CCH)(H)	107.6175	0.064	2	107.6175	0.004	2	107.6175	0.004	2	108.7599	2.652	7	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C(C[6]C[6,6a]N[6]C)(F)3	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(F)3	C(C[6]C[6,6a]N[6]C)(CCH)(H)	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	108.7599	2.652	7	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)2(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]H)2(CH3)(CCH){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	108.7599	2.652	7	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NCH)(O)	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NCH)(O)	108.5135	0.607	2	108.5135	0.369	2	108.5135	0.369	2	108.7599	2.652	7	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:S-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	108.7599	2.652	7	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:4:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5a,6]C[6]C)(H)3	C(C[6]C[5a,6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C(C[6]C[5a,6]C[6]C)(CH3)(H)	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	109.3410	4.875	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	110.1760	0.000	1	110.1760	0.000	1	108.8305	4.763	4	109.3410	4.875	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	109.7880	0.116	2	109.7880	0.013	2	108.8305	4.763	4	109.3410	4.875	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(CH3)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	C(C[6]C[5a,6]N[6]C)(CH3)(O)	105.5700	0.000	1	105.5700	0.000	1	108.8305	4.763	4	109.3410	4.875	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:1:1:1:	4:4:2:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:N-2:	C[6](N[6]C[6]H)2(CH3)(CCN)	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(CH3)(NO)	C[6](N[6]C[6]H)2(CH3)(CCN){1|C<4>,4|H<1>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(CH3)(NO)	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:2:1:1:	4:2:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:S-2:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	C(C[6]C[6,6a]N[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	C(C[6]C[6,6a]N[6]C)(OC)(O)	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:3:1:1:	4:2:1:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO)	C(C[6]C[5,6]2C)(COO)(H)2	C(C[6]C[5,6]2C)(OC)(O)	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO){1|N<3>,2|O<1>,4|C<3>}	C(C[6]C[5,6]2C)(COO)(H)2	C(C[6]C[5,6]2C)(OC)(O)	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.8961	1.475	8	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:3:1:1:	4:2:1:	C[5,6]-3:C[6,6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C(C[6]C[5,6]C[6,6]C)(OC)(O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C(C[6]C[5,6]C[6,6]C)(OC)(O)	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	107.8961	1.475	8	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:3:1:1:	4:2:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C(C[6]C[5a,6]C[6]C)(OC)(O)	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	107.8961	1.475	8	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:3:1:1:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO)	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C(C[6]C[6,6a]2C)(OC)(O)	107.2725	0.637	2	107.2725	0.406	2	107.2725	0.406	2	107.8961	1.475	8	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:3:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C(C[6]C[6,6a]C[6]C)(OC)(O)	107.4250	0.000	1	107.1640	0.136	2	107.8197	1.358	3	107.8961	1.475	8	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:3:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C(C[6]C[6,6a]C[6]C)(OC)(O)	106.9030	0.000	1	107.1640	0.136	2	107.8197	1.358	3	107.8961	1.475	8	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:3:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C(C[6]C[6,6a]C[6]C)(OC)(O)	109.1310	0.000	1	109.1310	0.000	1	107.8197	1.358	3	107.8961	1.475	8	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:4:1:1:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO)	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(C[6]C[6,6a]2C)(OC)(O)	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:4:1:1:	4:3:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:3:4:3:	4:4:4:4:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:C-4:C-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO)	C(C[6]C[6,6a]2C)(CH3)3	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CH3)3	C(C[6]C[6,6a]2C)(OC)(O)	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO){1|Fe<10>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	104.8170	0.000	1	104.8170	0.000	1	104.8170	0.000	1	104.8170	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	3:4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C(C[6]C[6]2C)(OC)(O)	110.1960	0.458	5	110.1960	0.210	5	110.1960	0.210	5	110.1960	0.210	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(O)2	107.4410	0.000	1	107.4410	0.000	1	107.4410	0.000	1	106.7400	1.493	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:1:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(O)2	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(O)2	106.3895	1.500	2	106.3895	2.249	2	106.3895	2.249	2	106.7400	1.493	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[5,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[5a,6]C[6]C)(H)3	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO){4|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C(C[6]C[5a,6]C[6]C)(OC)(O)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-2:H-1:	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(HC)(H)	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(HC)(H)	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	108.7550	0.000	1	108.7550	0.000	1	108.8190	1.212	4	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	108.6440	0.000	1	109.4595	1.330	2	108.8190	1.212	4	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	110.2750	0.000	1	109.4595	1.330	2	108.8190	1.212	4	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	107.6020	0.000	1	107.6020	0.000	1	108.8190	1.212	4	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	104.9680	0.000	1	104.9680	0.000	1	104.9680	0.000	1	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	108.6577	0.282	3	109.3698	2.739	5	110.1860	4.610	8	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	110.4380	2.645	2	109.3698	2.739	5	110.1860	4.610	8	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(OC)(O)	111.5463	2.493	3	111.5463	6.217	3	110.1860	4.610	8	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){1|I<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	109.4015	0.865	4	109.4959	0.397	7	109.4959	0.397	7	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	109.6217	0.167	3	109.4959	0.397	7	109.4959	0.397	7	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:2:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	104.9190	1.594	3	104.9190	2.540	3	104.9190	2.540	3	108.7867	4.921	26	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(CHH)(H)	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	107.9340	0.494	2	108.6560	3.362	19	108.7358	3.392	22	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	109.5386	2.628	5	108.6560	3.362	19	108.7358	3.392	22	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	110.4400	1.803	3	108.6560	3.362	19	108.7358	3.392	22	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	107.4240	0.000	1	108.6560	3.362	19	108.7358	3.392	22	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	107.7699	0.743	8	108.6560	3.362	19	108.7358	3.392	22	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	109.9695	2.579	2	109.9695	6.650	2	108.7358	3.392	22	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	107.7840	0.000	1	107.7840	0.000	1	108.7358	3.392	22	108.8478	3.527	23	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:2:1:1:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(OC)(O)	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:3:1:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO){3|C<3>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OC)(O)	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	110.8510	0.223	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:3:1:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	C(C[6]C[6]2C)(OC)(O)	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	110.8510	0.223	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	C(C[6]C[6]2C)(NCH)(O)	112.7160	0.754	2	112.7160	0.568	2	112.7160	0.568	2	112.7160	0.568	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	106.0795	1.892	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	106.0795	1.892	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:4:1:1:	4:3:1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C(C[6]C[5a,6]C[6]C)(CHH)(H)	108.8150	2.137	2	108.8150	4.566	2	108.8150	4.566	2	108.8150	4.566	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(C[6]C[6]2C)(OC)(O)	104.3790	0.000	1	104.3790	0.000	1	107.0197	5.272	3	107.0197	5.272	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	3:4:4:3:	4:4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(C[6]C[6]2C)(OC)(O)	108.3400	0.291	2	108.3400	0.085	2	107.0197	5.272	3	107.0197	5.272	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:2:3:	3:4:3:1:	4:4:1:	C-4:S[6]-2:S[6]-2:C-3:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:O-1:	C[6](CC[6a]CH)(S[6]C[6])2(CCO)	C(C[6a]C[6a]2)(C[6]S[6]2C)(CCH)(H)	C(C[6]S[6]2C)(CH3)(O)	C[6](CC[6a]CH)(S[6]C[6])2(CCO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]S[6]2C)(CCH)(H)	C(C[6]S[6]2C)(CH3)(O)	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:1:1:	C[6]-4:N[6]-2:C-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]HO)(N[6]C[6,6])(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(O)2	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(O)2	105.8220	0.000	1	105.8220	0.000	1	105.8220	0.000	1	105.9253	0.210	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)(O)	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	105.9253	0.210	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:1:1:	C[6]-4:O[6]-2:C-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)(O[6]C[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(O)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(O)2	105.5280	0.000	1	105.5280	0.000	1	105.5280	0.000	1	105.9253	0.210	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:2:1:	C[6]-4:O[6]-2:C-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)(O[6]C[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OH)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OH)(O)	105.8870	0.000	1	105.8870	0.000	1	107.0585	2.745	2	107.0585	2.745	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:2:1:	C[6]-4:O[6]-2:C-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)(O[6]O[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(OC)(O)	108.2300	0.000	1	108.2300	0.000	1	107.0585	2.745	2	107.0585	2.745	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCC)(H)	112.5950	0.000	1	112.5950	0.000	1	108.8703	3.135	9	108.8703	3.135	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	110.1570	0.000	1	110.1570	0.000	1	108.8703	3.135	9	108.8703	3.135	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	109.1490	0.000	1	107.9802	0.938	6	108.8703	3.135	9	108.8703	3.135	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	109.3070	0.000	1	107.9802	0.938	6	108.8703	3.135	9	108.8703	3.135	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CHH)(H)	107.3562	0.037	4	107.9802	0.938	6	108.8703	3.135	9	108.8703	3.135	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:1:1:1:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH){1|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(CCH)(H)	109.2000	0.000	1	109.2000	0.000	1	108.8703	3.135	9	108.8703	3.135	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:2:1:1:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-2:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	C(C[6]C[6]O[6]C)(CN)(H)2	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CN)(H)2	C(C[6]C[6]O[6]C)(H)(O)	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:3:1:1:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	C(C[6]C[6]O[6]C)(COO)(H)2	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(COO)(H)2	C(C[6]C[6]O[6]C)(H)(O)	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:3:1:1:	4:2:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-2:H-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN)	C(C[6]C[6]O[6]C)(CCH)(H)2	C(C[6]C[6]O[6]C)(NN)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CCH)(H)2	C(C[6]C[6]O[6]C)(NN)(H)	112.9895	0.086	2	112.9895	0.007	2	112.9895	0.007	2	112.9895	0.007	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:4:3:1:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH)	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:2:4:3:	4:4:4:1:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO)	C(C[6]C[6]O[6]C)(CH3)2(H)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CH3)2(H)	C(C[6]C[6]O[6]C)(H)(O)	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[5]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(C[5]C[5]2)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH){1|C<3>,4|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(C[5]C[5]2)(O)	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:3:4:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[5]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH)	C(C[6]C[6]2C)(CCH)(H)2	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:3:4:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH){4|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	110.2040	0.000	1	110.2040	0.000	1	109.3420	1.486	2	109.3420	1.486	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:3:4:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	108.4800	0.000	1	108.4800	0.000	1	109.3420	1.486	2	109.3420	1.486	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	110.8965	2.313	2	110.8965	5.350	2	109.9563	5.327	3	109.9563	5.327	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	108.0760	0.000	1	108.0760	0.000	1	109.9563	5.327	3	109.9563	5.327	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	3:4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C(C[6]C[6]2C)(OC)(O)	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)2	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	103.5680	0.000	1	103.5680	0.000	1	105.1905	5.265	2	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	106.8130	0.000	1	106.8130	0.000	1	105.1905	5.265	2	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO){2|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	104.5450	0.431	2	104.5450	0.186	2	107.1773	4.555	7	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-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)(C[6]C[6]N)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	107.5920	1.226	2	107.5920	1.503	2	107.1773	4.555	7	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-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)(C[6]C[6]O)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	106.9140	0.000	1	106.9140	0.000	1	107.1773	4.555	7	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-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)(C[6]N[6]O)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	109.5265	0.575	2	109.5265	0.330	2	107.1773	4.555	7	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(SC[6a])(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS){2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(SC[6a])(O)	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6]-4:N[6]-3:C-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)(N[6]C[6]C)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	106.0080	0.000	1	106.0080	0.000	1	107.1455	2.588	2	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:2:1:	C[6]-4:N[6]-3:C-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)(N[6]C[6]H)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(OC)(O)	108.2830	0.000	1	108.2830	0.000	1	107.1455	2.588	2	106.8572	3.808	12	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCC)(H)	107.3540	0.545	3	107.2673	0.228	4	107.2673	0.228	4	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCC)(H)	107.0070	0.000	1	107.2673	0.228	4	107.2673	0.228	4	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	109.5460	0.000	1	109.5460	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	105.5540	0.000	1	105.5540	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	112.4360	0.000	1	112.4360	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCC)(H)	106.2740	0.000	1	106.2740	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	112.2855	1.251	2	112.2855	1.565	2	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	109.1430	0.000	1	109.1430	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	109.7020	0.000	1	109.7020	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	110.5900	0.000	1	110.5900	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	111.7300	0.000	1	111.7300	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	110.1800	2.944	2	110.1800	8.669	2	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	112.5320	0.000	1	112.5320	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	112.0310	0.000	1	112.0310	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCC)(H)	106.4390	0.000	1	106.4390	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	112.1970	0.000	1	112.1970	0.000	1	110.1941	6.143	16	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(O)	110.6327	0.308	3	110.6327	0.095	3	110.6327	0.095	3	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO){1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	108.2750	0.000	1	108.2750	0.000	1	107.5597	0.399	3	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-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]N)(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NHH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO){1|N<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NHH)(O)	107.3270	0.000	1	107.3270	0.000	1	107.5597	0.399	3	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NHH)(O)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NHH)(O)	107.0770	0.000	1	107.0770	0.000	1	107.5597	0.399	3	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(CHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(CHS)(H)	113.5590	0.000	1	113.5590	0.000	1	113.5590	0.000	1	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-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]CH)(N[6]C[6]C)(CH3)(CNO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	110.2570	0.000	1	110.2570	0.000	1	110.0725	0.068	2	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NCH)(O)	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(NCH)(O)	109.8880	0.000	1	109.8880	0.000	1	110.0725	0.068	2	109.6709	5.463	29	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCCO)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCCO)(O)	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	108.7617	7.012	6	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCCO)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCCO)(O)	107.8830	0.000	1	107.8830	0.000	1	108.0016	4.432	5	108.7617	7.012	6	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO){2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	105.9435	0.441	2	105.9435	0.194	2	108.0016	4.432	5	108.7617	7.012	6	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCCH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCCH)(O)	109.9150	0.000	1	109.9150	0.000	1	108.0016	4.432	5	108.7617	7.012	6	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	110.3230	0.000	1	110.3230	0.000	1	108.0016	4.432	5	108.7617	7.012	6	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	105.7440	0.000	1	105.7440	0.000	1	108.4059	3.037	8	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	111.1150	0.000	1	109.2890	3.139	3	108.4059	3.037	8	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	107.5770	0.000	1	109.2890	3.139	3	108.4059	3.037	8	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	109.1750	0.000	1	109.2890	3.139	3	108.4059	3.037	8	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC)(O)	110.1480	0.000	1	110.1480	0.000	1	108.4059	3.037	8	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[6a]O)(H)2	C(C[6]C[6]2C)(OC)(O)	106.8530	0.000	1	106.8530	0.000	1	108.4059	3.037	8	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC[6])(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO){4|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(OC[6])(O)	108.3175	0.301	2	108.3175	0.090	2	108.4059	3.037	8	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO)	C(C[6]C[6]2C)(NHS)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	C(C[6]C[6]2C)(OC)(O)	106.5650	0.000	1	106.5650	0.000	1	106.5650	0.000	1	108.2013	3.034	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO){2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CCHH)(O)	109.1250	0.000	1	109.1250	0.000	1	107.6100	4.590	2	107.6100	4.590	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CH3)(O)	106.0950	0.000	1	106.0950	0.000	1	107.6100	4.590	2	107.6100	4.590	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	110.1630	0.000	1	110.1630	0.000	1	109.2767	1.492	4	109.2767	1.492	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	107.7050	0.000	1	109.0130	3.422	2	109.2767	1.492	4	109.2767	1.492	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	110.3210	0.000	1	109.0130	3.422	2	109.2767	1.492	4	109.2767	1.492	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:3:4:3:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CC[6a]HH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6a]HH)(H)2	C(C[6]C[6]2C)(OC)(O)	108.9180	0.000	1	108.9180	0.000	1	109.2767	1.492	4	109.2767	1.492	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:2:3:	4:3:1:1:	4:1:1:	C[6]-4:C-4:O[6]-2:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[6]O[6]C)(H)(O)	107.7970	0.031	2	107.7970	0.001	2	107.7970	0.001	2	107.7970	0.001	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3)	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	107.8520	0.000	1	107.8520	0.000	1	107.5103	0.135	3	107.4297	0.116	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3)	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3){5|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	107.1210	0.000	1	107.1210	0.000	1	107.5103	0.135	3	107.4297	0.116	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3)	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	107.5580	0.000	1	107.5580	0.000	1	107.5103	0.135	3	107.4297	0.116	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:S-1:	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3)	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(S)	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2C)(S)	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	107.4297	0.116	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[5a]-3:O-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(C[5a]C[5a]2)(O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(C[5a]C[5a]2)(O)	102.9950	0.000	1	102.9950	0.000	1	102.6495	0.239	2	107.3838	12.049	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[5a]-3:O-1:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(C[5a]C[5a]2)(O)	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(C[5a]C[5a]2)(O)	102.3040	0.000	1	102.3040	0.000	1	102.6495	0.239	2	107.3838	12.049	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[5]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(C[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(C[5]C[5]2)(O)	110.1165	0.177	2	110.1165	0.032	2	110.1165	0.032	2	107.3838	12.049	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	105.9350	0.000	1	105.9350	0.000	1	105.5240	0.338	2	107.3838	12.049	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N[5]C[5]2)(O)	105.1130	0.000	1	105.1130	0.000	1	105.5240	0.338	2	107.3838	12.049	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N[6]C[6]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N[6]C[6]2)(O)	109.9580	2.148	3	109.9580	4.612	3	109.9580	4.612	3	107.3838	12.049	9	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(C[5]C[5]2O)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(C[5]C[5]2O)(O)	106.6870	0.000	1	106.6870	0.000	1	106.6870	0.000	1	106.7253	5.923	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(C[5]C[5]2H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(C[5]C[5]2H)(O)	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	106.7253	5.923	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:3:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[3]-4:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3)	C(C[6]C[6]2C)(H)3	C(C[3]C[3]2H)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[3]C[3]2H)(C[6]C[6]2C)(O)	104.3110	0.000	1	104.3110	0.000	1	104.3110	0.000	1	106.7253	5.923	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	113.4500	1.208	2	113.4500	1.459	2	113.4500	1.459	2	113.4500	1.459	2	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO){1|O<1>,1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	111.3670	0.000	1	111.3670	0.000	1	106.8406	17.241	5	106.8406	17.241	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO){2|C<3>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OH)(O)	102.7785	2.594	2	102.7785	6.731	2	106.8406	17.241	5	106.8406	17.241	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(O)	108.6395	1.507	2	108.6395	2.271	2	106.8406	17.241	5	106.8406	17.241	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)(O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)(O)	107.1890	0.000	1	107.1890	0.000	1	107.1890	0.000	1	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)(O)	104.8190	0.000	1	104.8190	0.000	1	104.8190	0.000	1	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	110.6660	0.000	1	110.6660	0.000	1	107.0106	11.925	7	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	103.9800	0.000	1	103.9800	0.000	1	107.0106	11.925	7	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	106.8856	3.497	5	106.8856	12.232	5	107.0106	11.925	7	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(O)2	109.7760	0.382	3	109.7760	0.146	3	109.7760	0.146	3	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6,6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)(O)	108.6220	0.335	2	108.6220	0.112	2	108.6220	0.112	2	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]ZrH)2(CH3)(CHH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)2	C[6](C[6]C[6]ZrH)2(CH3)(CHH){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)2	109.5750	0.000	1	109.5750	0.000	1	110.1005	0.552	2	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)(CHH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)2	C[6](C[6]O[6]HH)2(CH3)(CHH){1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)2	110.6260	0.000	1	110.6260	0.000	1	110.1005	0.552	2	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)(O)	110.4000	0.000	1	110.4000	0.000	1	107.9883	4.720	3	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]C[6,6]HH)2(CH3)(CHO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6,6]HH)2(CH3)(CHO){5|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)(O)	107.3810	0.000	1	107.3810	0.000	1	107.9883	4.720	3	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)(O)	106.1840	0.000	1	106.1840	0.000	1	107.9883	4.720	3	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-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(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(O)2	103.5865	0.872	2	103.5865	0.760	2	103.5865	0.760	2	107.5711	7.725	21	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(OC)(O)	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(OC)(O)	108.8890	0.163	2	108.8890	0.026	2	108.8890	0.026	2	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO){1|C<2>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	105.5850	0.000	1	105.5850	0.000	1	104.9910	1.313	4	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	104.3800	0.000	1	104.7930	1.734	3	104.9910	1.313	4	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(OC)(O)	104.9995	1.793	2	104.7930	1.734	3	104.9910	1.313	4	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	110.4703	2.731	3	110.4703	7.458	3	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	105.9000	0.000	1	105.9000	0.000	1	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	107.0405	2.536	12	106.4810	4.341	36	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	106.8220	0.000	1	106.4810	4.341	36	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	106.1742	1.849	23	106.4810	4.341	36	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC[6])(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC[6])(O)	106.1650	0.000	1	106.1650	0.000	1	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	105.8240	0.000	1	106.1653	4.083	38	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	107.6298	2.423	10	106.1653	4.083	38	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	105.6356	1.630	27	106.1653	4.083	38	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1: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)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(ON)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(ON)(O)	109.4230	0.000	1	109.4230	0.000	1	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OC)(O)	105.3090	0.000	1	105.3090	0.000	1	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	106.1470	0.000	1	107.3286	1.538	7	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	107.5255	1.233	6	107.3286	1.538	7	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	104.0670	0.000	1	103.4017	0.432	4	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	102.5520	0.000	1	103.4017	0.432	4	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	103.4940	0.339	2	103.4017	0.432	4	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	103.4500	0.000	1	102.6115	1.406	2	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(OH)(O)	101.7730	0.000	1	102.6115	1.406	2	106.3397	4.977	94	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:F-1:F-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(CFFH)(COO)	C(C[6]C[6]2C)(F)2(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)2(CFFH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(F)2(H)	C(C[6]C[6]2C)(OC)(O)	105.6440	0.000	1	105.6440	0.000	1	105.6440	0.000	1	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	108.2960	0.000	1	108.2960	0.000	1	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	107.1464	1.519	9	106.8269	3.072	10	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	103.9510	0.000	1	106.8269	3.072	10	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	106.5015	1.266	6	106.5015	1.602	6	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC[6a])(O)	C[6](C[6]C[6,6]HH)2(CH3)(COO){1|C<3>,4|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC[6a])(O)	103.7350	0.000	1	103.6380	0.019	2	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC[6a])(O)	C[6](C[6]C[6,6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC[6a])(O)	103.5410	0.000	1	103.6380	0.019	2	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6,6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	104.2742	1.342	4	104.2742	1.800	4	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-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]BrC)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(CH3)(COO){1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	108.2140	0.000	1	108.2140	0.000	1	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-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]CH)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	110.1910	0.000	1	110.1910	0.000	1	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-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]CO)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	107.4570	4.093	2	107.4570	16.750	2	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-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)(C[6]C[6]HS)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	107.6093	0.296	6	107.6093	0.087	6	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-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(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	106.1344	1.048	5	106.1344	1.098	5	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-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(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	105.8161	3.228	14	105.8161	10.422	14	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]O[6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]O[6]HH)2(CH3)(COO){1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC)(O)	109.9467	1.205	4	109.9467	1.451	4	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]O[6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC[6])(O)	C[6](C[6]O[6]HH)2(CH3)(COO){1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OC[6])(O)	107.4500	0.000	1	107.4500	0.000	1	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]O[6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]O[6]HH)2(CH3)(COO){1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OH)(O)	108.1245	0.218	2	108.1245	0.048	2	106.6865	5.650	59	106.4614	5.157	160	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-2:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OCu)2	C[6](C[6]C[6,6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OCu)2	104.1745	0.897	2	104.1745	0.805	2	103.3856	0.775	5	103.3856	0.775	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:2:2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-2:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OFe)2	C[6](C[6]C[6,6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(OFe)2	102.8597	0.332	3	102.8597	0.110	3	103.3856	0.775	5	103.3856	0.775	5	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[3,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:O-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(CC[6]H)(O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(CC[6]H)(O)	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(CCH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(CCH)(H)	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CHH)(H)	111.4570	0.000	1	111.4570	0.000	1	108.1416	3.570	5	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCH)(H)	107.3127	0.425	4	107.3127	0.180	4	108.1416	3.570	5	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	108.7030	0.000	1	108.4087	13.115	3	109.8187	6.443	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	111.8740	0.000	1	108.4087	13.115	3	109.8187	6.443	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	104.6490	0.000	1	108.4087	13.115	3	109.8187	6.443	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	110.0410	0.000	1	110.0410	0.000	1	109.8187	6.443	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CHH)(H)	110.7340	0.000	2	110.7340	0.000	2	109.8187	6.443	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(CCH)(H)	111.9960	0.000	1	111.9960	0.000	1	109.8187	6.443	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NCH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NCH)(O)	105.9718	1.911	4	105.9718	3.650	4	106.9337	13.815	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NC[6a]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NC[6a]C)(O)	112.3140	0.000	1	112.3140	0.000	1	106.9337	13.815	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	110.5330	0.000	1	110.5330	0.000	1	106.9337	13.815	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NHH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NHH)(O)	101.8020	0.000	1	101.8020	0.000	1	106.9337	13.815	7	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	112.9520	0.000	1	112.9520	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	108.4240	0.000	1	108.4240	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	111.0060	0.000	1	111.0060	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	110.6340	2.102	2	110.6340	4.416	2	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	109.1790	3.646	2	109.1790	13.292	2	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	111.1990	0.000	1	111.1990	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[5a]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[5a]H)(H)	111.2280	0.000	1	111.2280	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	108.7790	1.451	2	108.7790	2.105	2	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	110.9408	3.804	4	109.6348	8.890	10	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	108.7642	2.247	6	109.6348	8.890	10	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	107.2550	0.000	1	107.2550	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	112.4320	0.000	1	110.5535	7.058	2	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	108.6750	0.000	1	110.5535	7.058	2	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCH)(H)	111.8720	0.000	1	111.8720	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CClH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CClH)(H)	107.2220	0.000	1	107.2220	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH){1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHH)(H)	113.1150	0.000	1	113.1150	0.000	1	109.9597	6.059	27	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]H)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]H)(O)	109.2920	0.000	1	109.2920	0.000	1	109.0900	0.082	2	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]H)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]H)(O)	108.8880	0.000	1	108.8880	0.000	1	109.0900	0.082	2	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	106.5675	0.394	2	106.5675	0.155	2	105.7092	1.034	5	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]HH)2(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6,6]HH)2(CH3)(CNO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	104.3010	0.000	1	104.3010	0.000	1	105.7092	1.034	5	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-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)2(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6]HH)2(CH3)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	106.0440	0.000	1	105.5550	0.478	2	105.7092	1.034	5	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-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)2(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6]HH)2(CH3)(CNO){2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(NCH)(O)	105.0660	0.000	1	105.5550	0.478	2	105.7092	1.034	5	108.8933	7.767	55	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:N-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NHH)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NHH)2	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO)	C(C[6]C[5,5,6]C[6]C)(H)3	C(C[6]C[5,5,6]C[6]C)(CH3)(O)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,5,6]C[6]C)(H)3	C(C[6]C[5,5,6]C[6]C)(CH3)(O)	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCHH)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CCHH)(O)	104.4190	0.000	1	104.4190	0.000	1	105.9960	4.974	2	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	107.5730	0.000	1	107.5730	0.000	1	105.9960	4.974	2	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(NH3)(H)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]FF)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]FF)(O)	106.6020	0.000	1	106.6020	0.000	1	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]HO)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CC[6]HO)(O)	106.1561	1.467	7	106.1561	2.151	7	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHO)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHO)(O)	107.3570	0.000	1	107.3570	0.000	1	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	111.0195	0.845	2	106.9325	22.527	4	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	102.8455	0.227	2	106.9325	22.527	4	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHHO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHHO)(O)	107.7450	0.984	2	107.9565	5.643	4	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHHO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CHHO)(O)	108.1680	3.973	2	107.9565	5.643	4	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO){3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	108.2680	0.000	1	108.2680	0.000	1	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	107.7680	0.000	1	107.7680	0.000	1	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	110.3020	0.000	1	110.3020	0.000	1	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	106.9043	0.637	3	106.9043	0.405	3	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CH3)(O)	108.6520	0.117	2	108.6520	0.014	2	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)2(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)2(CH3)(CCO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	107.9270	0.000	1	107.9270	0.000	1	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO){1|O<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(CCHH)(O)	109.9020	0.000	1	109.9020	0.000	1	107.3627	5.058	27	107.4217	5.361	31	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:2:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:S-2:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]O[6]HH)2(CHHS)(COO)	C(C[6]C[6]2C)(SC)(H)2	C(C[6]C[6]2C)(O)2	C[6](C[6]O[6]HH)2(CHHS)(COO){1|P<4>}	C(C[6]C[6]2C)(SC)(H)2	C(C[6]C[6]2C)(O)2	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:O-2:H-1: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)(CHHO)(COO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(OH)(O)	106.0260	0.000	1	106.0260	0.000	1	106.0260	0.000	1	103.6003	5.557	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO)	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(OH)(O)	103.4570	0.000	1	103.4570	0.000	1	102.3875	2.288	2	103.6003	5.557	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OC)(O)	101.3180	0.000	1	101.3180	0.000	1	102.3875	2.288	2	103.6003	5.557	3	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:2:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(CCHH)(O)	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO)	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C(C[6]C[5,6]C[6]C)(O)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO){1|S<4>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C(C[6]C[5,6]C[6]C)(O)2	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[5,6]C[6]C)(COO)(H)2	C(C[6]C[5,6]C[6]C)(OC)(O)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(COO)(H)2	C(C[6]C[5,6]C[6]C)(OC)(O)	109.8710	1.451	2	109.8710	2.105	2	109.8710	2.105	2	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5,6]C[6]C)(OC)(O)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5,6]C[6]C)(OC)(O)	111.1990	0.000	1	111.1990	0.000	1	109.5710	5.455	3	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5,6]C[6]C)(OC)(O)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO){2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5,6]C[6]C)(OC)(O)	108.7570	2.633	2	108.7570	6.934	2	109.5710	5.455	3	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:S[6]-4:C-4:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO)	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5,6]S[6]C)(OC)(O)	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5,6]S[6]C)(OC)(O)	115.0367	0.223	3	115.0367	0.050	3	115.0367	0.050	3	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO){1|S<2>,3|C<3>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OC)(O)	106.5800	0.000	1	106.5800	0.000	1	107.4265	2.082	6	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)2(CCHH)(COO)	C(C[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)2(CCHH)(COO){2|C<4>,3|C<3>}	C(C[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]2C)(OC)(O)	105.2030	0.000	1	105.2030	0.000	1	107.4265	2.082	6	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OH)(O)	108.5250	0.488	2	108.5250	0.238	2	107.4265	2.082	6	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(CCHH)(COO)	C(C[6]C[6]2C)(CNO)(H)2	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]HH)2(CCHH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CNO)(H)2	C(C[6]C[6]2C)(OH)(O)	106.9360	0.000	1	106.9360	0.000	1	107.4265	2.082	6	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(CCHH)(COO)	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]HH)2(CCHH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(OH)(O)	108.7900	0.000	1	108.7900	0.000	1	107.4265	2.082	6	109.8660	10.746	14	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(H)(O)	101.6390	0.000	1	101.6390	0.000	1	101.6390	0.000	1	101.6390	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-2:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(NC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(NC)(H)	105.7695	0.274	2	105.7695	0.075	2	105.7695	0.075	2	107.1555	5.733	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OC)(O)	106.3690	0.000	1	106.3690	0.000	1	108.5415	9.440	2	107.1555	5.733	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(CCl3)(H)2	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO){1|Br<1>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CCl3)(H)2	C(C[6]C[6]2C)(OC)(O)	110.7140	0.000	1	110.7140	0.000	1	108.5415	9.440	2	107.1555	5.733	4	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CHH)(H)	106.3960	0.000	1	106.3960	0.000	1	106.3960	0.000	1	109.9991	3.338	10	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(NCH)(O)	110.7018	1.136	8	110.7018	1.292	8	110.3994	1.953	9	109.9991	3.338	10	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)2(CCHH)(CNO)	C(C[6]C[6]2C)(CCCH)(H)2	C(C[6]C[6]2C)(NC[6a]H)(O)	C[6](C[6]C[6]HH)2(CCHH)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCCH)(H)2	C(C[6]C[6]2C)(NC[6a]H)(O)	107.9810	0.000	1	107.9810	0.000	1	110.3994	1.953	9	109.9991	3.338	10	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C(C[6]C[6]2C)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C(C[6]C[6]2C)(H)2	104.8890	0.000	1	104.8890	0.000	1	104.8890	0.000	1	104.8890	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(CC[6]HO)(COO)	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)2(CC[6]HO)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C(C[6]C[6]2C)(OC)(O)	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	107.9901	7.259	567	107.9641	7.280	586
466	490	930	0:SP3_SP2_SP3	C[6]	C	C	4:4:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	C(C[6]C[6]2C)(CH3)(CCO)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]2C)(CH3)(CCO)(H)	C(C[6]C[6]2C)(CCH)(H)	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	107.9901	7.259	567	107.9641	7.280	586