474	893	955	0:SP3_SP3_SP3	C[5,6]	O	P[5]	4:4:4:2:	4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH)	O(C[5,6]C[5,6]C[6]P[5])(H)	P[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CO)(OH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH){1|O<2>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6]P[5])(H)	P[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CO)(OH)(O){2|C<4>,5|H<1>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	110.8852	9.957	5
474	893	955	0:SP3_SP3_SP3	C[5]	O	P[5]	4:3:2:1:	4:4:	3:4:4:4:	P[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5,6a]-3:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H)	O(C[5]N[5]P[5]H)(CCHH)	P[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)2(C[5]N[5]HO)	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H){2|C<3>,6|C<4>}	O(C[5]N[5]P[5]H)(CCHH)	P[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)2(C[5]N[5]HO){13|H<1>,2|C<3>,7|C<4>}	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	110.8625	0.318	2	110.3630	11.457	4	110.8852	9.957	5
474	893	955	0:SP3_SP3_SP3	C[5]	O	P[5]	4:3:2:1:	4:4:	3:4:4:4:	P[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H)	O(C[5]N[5]P[5]H)(CCHH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H){2|H<1>,4|C<3>,4|C<4>}	O(C[5]N[5]P[5]H)(CCHH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2{3|C<3>,4|C<4>,9|H<1>}	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	110.8625	0.318	2	110.3630	11.457	4	110.8852	9.957	5
474	893	955	0:SP3_SP3_SP3	C[5]	O	P[5]	4:3:4:2:	4:1:	4:4:1:1:	P[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH)	O(C[5]C[5]P[5]C)(H)	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH){1|C<3>,1|C<4>}	O(C[5]C[5]P[5]C)(H)	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2{1|O<1>}	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	110.3630	11.457	4	110.8852	9.957	5
474	893	955	0:SP3_SP3_SP3	C[5]	O	P[5]	4:4:4:2:	4:1:	4:4:2:1:	C[5]-4:P[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH)	O(C[5]C[5]P[5]C)(H)	P[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CO)(OH)(O)	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]P[5]C)(H)	P[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CO)(OH)(O){2|C<4>,5|H<1>}	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	110.3630	11.457	4	110.8852	9.957	5
474	893	956	0:SP3_SP2_SP3	C[5]	O	N	3:3:3:2:	4:1:	4:3:1:	C[5]-3:C[5]-3:N-3:O-2:	C[5]-4:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	O(C[5]C[5]2N)(H)	N(C[5]C[5]2O)(CC[6a]O)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	O(C[5]C[5]2N)(H)	N(C[5]C[5]2O)(CC[6a]O)(H)	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	114.0755	0.330	2	114.0755	0.330	2
474	893	956	0:SP3_SP2_SP3	C[5]	O	N	3:3:3:2:	4:2:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:O-2:	C[5]-4:O-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO)	O(C[5]C[5,6a]C[5]N)(OC)	N(C[5]C[5,6a]C[5]O)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5]N)(OC)	N(C[5]C[5,6a]C[5]O)(COO)(H)	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.0755	0.330	2	114.0755	0.330	2
474	893	959	0:SP3_SP3_SP3	C[5]	O	S[5]	4:4:2:1:	4:4:	4:4:1:1:	C[5]-4:S[5]-4:O-2:H-1:	C[5]-4:C-4:	C[4,5]-4:C[5]-4:O-1:O-1:	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H)	O(C[5]C[5]S[5]H)(CH3)	S[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HO)(O)2	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H){1|C<3>,1|C<4>,2|O<2>}	O(C[5]C[5]S[5]H)(CH3)	S[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HO)(O)2{1|O<2>,2|C<3>,3|C<4>}	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1
474	893	960	0:SP3_SP2_SP2	C[5]	O	N[5]	2:2:2:4:	3:4:	3:4:	N[5]-2:O[5]-2:O-2:C-4:	C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH)	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	N[5](C[5]C[6a]C[5])(C[5]O[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	N[5](C[5]C[6a]C[5])(C[5]O[5]CO){1|H<1>,1|O<2>,2|C<3>}	109.5435	0.943	2	109.5435	0.888	2	109.6030	0.455	3	109.6030	0.455	3	108.7446	1.770	5	108.7446	1.770	5
474	893	960	0:SP3_SP2_SP2	C[5]	O	N[5]	2:2:2:4:	3:4:	3:4:	N[5]-2:O[5]-2:O-2:C-4:	C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3)	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	N[5](C[5]C[6a]C[5])(C[5]O[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	N[5](C[5]C[6a]C[5])(C[5]O[5]CO){1|H<1>,1|O<2>,2|C<3>}	109.7220	0.000	1	109.7220	0.000	1	109.6030	0.455	3	109.6030	0.455	3	108.7446	1.770	5	108.7446	1.770	5
474	893	960	0:SP3_SP2_SP2	C[5]	O	N[5]	3:3:2:2:	4:3:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.7446	1.770	5	108.7446	1.770	5
474	893	960	0:SP3_SP2_SP2	C[5]	O	N[5]	4:2:2:1:	4:3:	4:3:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H)	O(C[5]C[5]N[5]H)(CCO)	N[5](C[5]C[5]HO)(C[5]N[5]C)	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H){1|C<4>,1|N<3>}	O(C[5]C[5]N[5]H)(CCO)	N[5](C[5]C[5]HO)(C[5]N[5]C){1|H<1>,1|N<3>,1|O<2>}	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	108.7446	1.770	5	108.7446	1.770	5
474	893	960	0:SP3_SP2_SP3	C[5,5]	O	N[5]	4:4:2:2:	4:1:	4:3:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH)	O(C[5,5]C[5,5]C[5]N[5])(H)	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|N<2>,3|H<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]){2|N<3>,3|C<3>,4|H<1>}	110.4140	0.000	1	110.4140	0.000	1	111.7100	3.359	2	111.7100	3.359	2	111.7100	3.359	2	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5,5]	O	N[5]	4:4:2:2:	4:1:	4:3:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH)	O(C[5,5]C[5,5]C[5]N[5])(H)	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	O(C[5,5]C[5,5]C[5]N[5])(H)	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	113.0060	0.000	1	113.0060	0.000	1	111.7100	3.359	2	111.7100	3.359	2	111.7100	3.359	2	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5,6,6]	O	N[5]	4:3:2:2:	4:4:	4:3:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	N[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	N[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.7403	0.545	4	113.7403	0.297	4	113.7403	0.297	4	113.7403	0.297	4	112.7804	4.829	5	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5,6,6]	O	N[5]	4:4:2:2:	4:1:	4:3:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH)	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]C)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]C){1|C<3>,1|H<1>,3|C<4>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	112.7804	4.829	5	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5,6]	O	N[5]	4:3:2:2:	4:1:	4:3:	C[5,6]-4:C[6]-3:N[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]N[5])(H)	N[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]C)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH){1|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[6]N[5])(H)	N[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]C){1|C<4>,1|H<1>,2|C<3>}	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	2:2:2:1:	4:4:	3:4:	N[5]-2:O[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:	C[5]-3:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H)	O(C[4,5]C[4,5]N[5]O[4])(C[5]N[5]O[5]H)	N[5](C[5]C[6a]C[5])(C[5]O[5]HO)	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H){1|C<3>,1|H<1>,1|O<2>}	O(C[4,5]C[4,5]N[5]O[4])(C[5]N[5]O[5]H)	N[5](C[5]C[6a]C[5])(C[5]O[5]HO){1|H<1>,1|O<2>,2|C<3>}	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	111.4637	0.301	3	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	2:2:2:1:	4:4:	3:4:	N[5]-2:O[5]-2:O-2:H-1:	C[6,6]-4:C[5]-4:	C[5]-3:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H)	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	N[5](C[5]C[6a]C[5])(C[5]O[5]HO)	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H){1|O<2>,2|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	N[5](C[5]C[6a]C[5])(C[5]O[5]HO){1|O<2>,3|C<3>}	111.2700	0.614	2	111.2700	0.377	2	111.2700	0.377	2	111.4637	0.301	3	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	3:2:4:2:	4:1:	3:4:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH)	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]S[5])(C[5]C[5]CO)	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH){1|C<3>}	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]S[5])(C[5]C[5]CO){1|O<1>,2|C<3>}	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	3:2:4:2:	4:2:	4:3:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	O(C[5]C[5]N[5]C)(OH)	N[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	O(C[5]C[5]N[5]C)(OH)	N[5](C[5]C[5]CO)(C[5]C[5]C){2|C<4>}	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	3:3:2:2:	4:2:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	O(C[5]C[6a]C[5]N[5])(OC[5])	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(OC[5])	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	111.7395	1.963	4	111.7395	3.852	4	111.5943	2.482	6	111.5943	2.482	6	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	3:3:2:2:	4:2:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	O(C[5]C[6a]C[5]N[5])(OH)	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(OH)	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	111.3040	0.775	2	111.3040	0.601	2	111.5943	2.482	6	111.5943	2.482	6	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	3:3:2:2:	4:4:	4:3:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	O(C[5]C[5,5]C[6a]N[5])(CH3)	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,5]C[6a]N[5])(CH3)	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a]){1|C<4>,5|C<3>}	111.2180	0.000	1	111.2180	0.000	1	111.2180	0.000	1	111.2180	0.000	1	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	3:4:2:2:	4:1:	4:3:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	O(C[5]C[6a]C[5]N[5])(H)	N[5](C[5]C[6a]C[5]O)(C[5]S[5]C)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]N[5])(H)	N[5](C[5]C[6a]C[5]O)(C[5]S[5]C){2|C<3>,2|H<1>}	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H)	O(C[5]C[5]N[5]H)(CH3)	N[5](C[5]C[5]HO)(C[5]S[5]N)	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H){1|N<2>}	O(C[5]C[5]N[5]H)(CH3)	N[5](C[5]C[5]HO)(C[5]S[5]N){2|C<4>}	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	4:2:4:2:	4:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH)	O(C[5]C[5]N[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CO)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	O(C[5]C[5]N[5]C)(H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.3045	0.947	2	108.3045	0.896	2	108.3045	0.896	2	110.1770	4.393	7	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	4:2:4:2:	4:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH)	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]C[5]CO)	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH){1|C<3>,2|C<4>}	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]C[5]CO){1|C<3>,1|C<4>,2|H<1>}	109.1260	0.000	1	109.1260	0.000	1	110.9260	3.910	5	110.1770	4.393	7	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	4:2:4:2:	4:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH)	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CO)	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH){1|C<3>,1|S<4>}	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CO){1|S<4>,2|C<3>,2|H<1>}	108.5410	0.000	1	108.5410	0.000	1	110.9260	3.910	5	110.1770	4.393	7	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	4:2:4:2:	4:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH)	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CO)	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CO){1|H<1>,3|C<3>}	112.6340	0.536	2	112.6340	0.287	2	110.9260	3.910	5	110.1770	4.393	7	110.9688	2.573	21	111.1951	3.784	29
474	893	960	0:SP3_SP2_SP3	C[5]	O	N[5]	4:2:4:2:	4:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH)	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]S[5])(C[5]C[5]CO)	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[6a]S[5])(C[5]C[5]CO){1|H<1>,3|C<3>}	111.6950	0.000	1	111.6950	0.000	1	110.9260	3.910	5	110.1770	4.393	7	110.9688	2.573	21	111.1951	3.784	29
474	893	976	0:SP3_SP2_SP2	C[5,6]	O	O[5]	3:4:2:2:	4:3:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<4>}	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	2:2:2:2:	3:4:	3:4:	O[5]-2:O[5]-2:O-2:O-2:	C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(OC[6a])2	O(C[6a]C[6a]2)(C[5]O[5]2O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]OO)	C[5](O[5]C[5,6a])2(OC[6a])2{2|C<3>}	O(C[6a]C[6a]2)(C[5]O[5]2O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]OO){1|H<1>,2|C<3>}	110.8872	2.446	12	110.8872	5.985	12	110.8872	5.985	12	110.8872	5.985	12	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:2:1:	4:3:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H){1|O<1>,4|C<4>}	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){2|C<4>}	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	108.3775	1.952	8	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:2:1:	4:3:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	O(C[5]C[5,6a]O[5]H)(CC[6a]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5]H)(CC[6a]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	108.3775	1.952	8	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:2:1:	4:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	105.6270	0.000	1	105.6270	0.000	1	108.2705	2.258	6	108.3775	1.952	8	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:2:1:	4:3:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CC[5]H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]H)(CC[5]H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	108.7992	0.852	5	108.7992	0.727	5	108.2705	2.258	6	108.3775	1.952	8	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:2:2:	4:3:	4:3:	C[5,6]-3:O[5]-2:O-2:O-2:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	O[5](C[5]C[5,6]OO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2{1|C<3>,1|O<1>,3|C<4>}	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	O[5](C[5]C[5,6]OO)(C[5]C[5,6]O){1|C<3>,1|C<4>}	106.8510	5.944	2	106.8510	35.330	2	106.8510	35.330	2	106.8510	35.330	2	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:4:2:	4:3:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	O(C[5]C[5]O[5]C)(CCH)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	O(C[5]C[5]O[5]C)(CCH)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	110.0445	0.156	2	110.0445	0.024	2	110.0445	0.024	2	109.2784	0.792	11	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:4:2:	4:3:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	O(C[5]C[5]O[5]C)(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	O(C[5]C[5]O[5]C)(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	109.1081	0.899	9	109.1081	0.808	9	109.1081	0.808	9	109.2784	0.792	11	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:4:2:	4:3:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	O(C[5]C[5]O[5]C)(CC[6a]O)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5]O[5]C)(CC[6a]O)	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<3>,1|C<4>}	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:3:2:2:	4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC)	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	O[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC){1|O<1>,3|H<1>,4|C<3>}	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	O[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){4|C<3>}	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	4:2:2:1:	4:3:	4:3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5,6]O[5]H)(CCO)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,5,6]O[5]H)(CCO)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	106.5940	0.000	1	106.5940	0.000	1	106.5940	0.000	1	106.5940	0.000	1	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	4:2:4:2:	4:3:	4:2:	C[5]-4:O[5]-2:P-4:O-2:	C[5]-4:C-3:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC)	O(C[5]C[5]O[5]P)(CCO)	O[5](C[5]C[5]OP)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC){1|C<3>}	O(C[5]C[5]O[5]P)(CCO)	O[5](C[5]C[5]OP)(N[5]C[5]){1|C<3>,2|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP2	C[5]	O	O[5]	4:2:4:2:	4:3:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC)	O(C[5]C[5]O[5]C)(CCO)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC){1|O<1>,2|H<1>}	O(C[5]C[5]O[5]C)(CCO)	O[5](C[5]C[5]CO)(C[5]C[5]O){4|H<1>}	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	109.3066	5.066	38	109.2966	4.936	39
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	3:2:4:2:	4:4:	3:4:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH)	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	108.1870	0.000	1	108.1870	0.000	1	108.7504	0.119	8	108.7504	0.119	8	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	108.8640	0.272	5	108.8309	0.078	7	108.7504	0.119	8	108.7504	0.119	8	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){2|O<2>,5|C<3>}	108.7480	0.393	2	108.8309	0.078	7	108.7504	0.119	8	108.7504	0.119	8	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:2:3:2:	4:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH)	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH){1|H<1>,1|O<1>,2|C<3>}	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:2:4:2:	4:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH)	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH){2|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	108.3085	0.078	4	108.3085	0.006	4	108.3085	0.006	4	108.3085	0.006	4	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:1:	4:3:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH)	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,6|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:2:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(N[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH){2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(N[5]C[5,6]){1|O<2>,5|C<4>}	108.8910	0.025	2	108.8910	0.001	2	108.8910	0.001	2	108.8910	0.001	2	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:3:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]O)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]O){3|C<4>,4|H<1>}	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	108.4125	0.279	2	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:3:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]O){3|H<1>,4|C<4>}	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	108.4125	0.279	2	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:3:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC)	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC){1|C<4>,2|O<2>,4|H<1>}	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<4>,3|H<1>,3|O<2>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.7610	0.043	2	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:3:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5])	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5]){1|C<4>,1|O<1>,5|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|O<1>,2|H<1>,3|C<4>}	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	110.7610	0.043	2	108.8120	0.635	21	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6,6]	O	O[5,6]	4:2:4:2:	4:3:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC)	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	106.0260	35.583	2	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6,6]	O	O[5,6]	4:4:2:2:	4:3:	4:4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC)	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	101.8080	0.000	1	101.8080	0.000	1	101.8080	0.000	1	101.8080	0.000	1	106.0260	35.583	2	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6,6]	O	O[5]	4:3:2:2:	4:4:	4:3:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	109.5870	0.000	1	109.5870	0.000	1	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	109.0420	0.000	1	109.0420	0.000	1	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	109.2355	0.409	2	108.5809	0.206	11	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	108.2115	0.049	2	108.5809	0.206	11	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	108.7785	0.387	2	108.5809	0.206	11	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	108.4440	0.000	1	108.5809	0.206	11	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	108.6070	0.004	2	108.5809	0.206	11	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	108.1405	0.351	2	108.5809	0.206	11	108.6938	0.260	13	108.6938	0.260	13	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	109.5490	0.000	1	109.5490	0.000	1	109.1315	0.349	2	108.7757	0.554	3	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	108.7140	0.000	1	108.7140	0.000	1	109.1315	0.349	2	108.7757	0.554	3	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:4:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5])	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5]){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.7757	0.554	3	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:2:3:2:	4:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<3>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:2:3:2:	4:3:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:2:4:2:	4:1:	4:3:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:1:	4:3:	C[5,5,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH)	O(C[5,6]C[5,5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>}	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	108.5443	0.638	4	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH){1|O<1>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]O){1|H<1>,1|O<1>,4|C<4>}	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	108.5443	0.638	4	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:1:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6,6]O[5])(H)	O[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6]C[6,6]O[5])(H)	O[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.0650	0.000	2	108.0650	0.000	2	108.0650	0.000	2	108.5443	0.638	4	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH){1|C<4>,1|S<2>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]){2|H<1>,4|C<4>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){3|C<4>,4|H<1>}	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<2>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,5|H<1>}	107.3920	0.000	1	107.3920	0.000	1	107.6890	0.176	2	108.0207	0.418	3	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){1|C<4>,1|O<2>,5|H<1>}	107.9860	0.000	1	107.9860	0.000	1	107.6890	0.176	2	108.0207	0.418	3	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6,6]O)(C[5]N[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC){1|O<1>,1|S<2>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6,6]O)(C[5]N[5]O){3|C<4>,3|H<1>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.0207	0.418	3	108.4635	0.723	28	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	2:2:2:4:	3:4:	4:4:	N[5]-2:O[5]-2:O-2:C-4:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH)	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	108.4540	0.945	2	108.4540	0.892	2	108.8750	0.978	3	108.8750	0.978	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	2:2:2:4:	3:4:	4:4:	N[5]-2:O[5]-2:O-2:C-4:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3)	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	109.7170	0.000	1	109.7170	0.000	1	108.8750	0.978	3	108.8750	0.978	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	2:2:4:2:	4:4:	3:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-3:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC)	O(C[5]O[5]2C)(CH3)	O[5](C[5]C[5,5]C)(C[5]O[5]CO)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC){1|C<3>,2|C<4>}	O(C[5]O[5]2C)(CH3)	O[5](C[5]C[5,5]C)(C[5]O[5]CO){2|C<4>}	110.1535	0.018	2	110.1535	0.000	2	110.1535	0.000	2	110.1535	0.000	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	3:4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	111.8457	0.691	3	111.8457	0.477	3	111.8457	0.477	3	111.8457	0.477	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	3:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H){2|C<3>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO){1|H<1>,1|O<1>,2|C<3>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	4:3:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H){1|O<1>,4|C<4>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){2|C<4>}	109.1310	0.481	2	109.1310	0.231	2	109.1310	0.231	2	110.3448	1.083	11	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	108.9630	0.000	1	110.0836	0.443	5	110.0836	0.443	5	110.3448	1.083	11	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	110.3637	0.261	4	110.0836	0.443	5	110.0836	0.443	5	110.3448	1.083	11	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O){2|C<4>}	110.7000	0.000	1	111.2782	0.684	4	111.2782	0.684	4	110.3448	1.083	11	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	111.4710	0.896	3	111.2782	0.684	4	111.2782	0.684	4	110.3448	1.083	11	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:3:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|C<3>,2|C<4>}	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.3555	0.079	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:3:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H)	O(C[5]C[5,6a]O[5]H)(CCO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5]H)(CCO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	109.2897	0.304	3	109.2897	0.092	3	109.2897	0.092	3	109.3555	0.079	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	3:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H){1|O<2>,3|C<3>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HO){4|C<3>}	110.5500	0.000	1	110.5500	0.000	1	110.5500	0.000	1	110.5500	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H)	O(C[5]C[5,6a]O[5]H)2	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5]H)2	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	110.8725	0.336	2	110.8725	0.113	2	110.8725	0.113	2	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	110.8295	0.062	2	110.8295	0.004	2	110.8150	0.291	7	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	110.5180	0.000	1	110.5180	0.000	1	110.8150	0.291	7	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	110.5395	1.056	2	110.8227	0.798	3	110.8150	0.291	7	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Cl<1>,1|O<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	111.3890	0.000	1	110.8227	0.798	3	110.8150	0.291	7	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>,2|C<3>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	111.0600	0.000	1	111.0600	0.000	1	110.8150	0.291	7	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,1|H<1>}	110.2730	0.000	1	110.5150	0.117	2	110.8569	0.697	14	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|H<1>}	110.7570	0.000	1	110.5150	0.117	2	110.8569	0.697	14	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Br<1>,1|N<3>}	111.5220	1.236	4	111.0805	0.949	8	110.8569	0.697	14	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	110.6390	0.410	4	111.0805	0.949	8	110.8569	0.697	14	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	109.9160	0.000	1	109.9160	0.000	1	110.8569	0.697	14	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Cl<1>,1|N<3>}	110.8020	0.623	3	110.8020	0.388	3	110.8569	0.697	14	110.8455	0.497	23	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:2:	4:4:	3:4:	C[5]-3:O[5]-2:C-2:O-2:	C[5]-4:C-4:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[6a]C[5])(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC){1|C<3>,1|H<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[6a]C[5])(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<3>}	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:2:2:	4:4:	4:3:	C[5,6a]-3:O[5]-2:C-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CN)(OC)	O(C[5]C[5,6a]O[5]C)(CCHH)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CN)(OC){1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5,6a]O[5]C)(CCHH)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N){2|C<3>}	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:3:2:	4:1:	3:4:	C[5]-3:O[5]-2:C-3:O-2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH){2|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<3>}	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:3:2:	4:4:	4:3:	C[5,6a]-3:O[5]-2:C-3:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(COO)(OC)	O(C[5]C[5,6a]O[5]C)(CH3)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(COO)(OC){1|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5]C)(CH3)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C){2|C<3>}	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|H<1>,2|C<3>}	107.5400	0.000	1	107.2825	0.133	2	107.2825	0.133	2	107.2825	0.133	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){2|C<3>,2|H<1>}	107.0250	0.000	1	107.2825	0.133	2	107.2825	0.133	2	107.2825	0.133	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:2:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5]C[5,6]CO)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5]C[5,6]CO)(N[5]C[5,6]){2|C<3>}	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH)	O(C[5]C[5,6a]O[5]C)(H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]O[5]C)(H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	104.7250	0.000	1	104.7250	0.000	1	107.3320	5.132	3	108.2638	3.533	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH)	O(C[5]C[5,6a]O[5]C)(H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]O[5]C)(H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	108.6355	0.265	2	108.6355	0.070	2	107.3320	5.132	3	108.2638	3.533	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	108.9850	0.000	1	108.9850	0.000	1	109.1957	1.096	3	108.2638	3.533	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	110.3320	0.000	1	110.3320	0.000	1	109.1957	1.096	3	108.2638	3.533	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>}	108.2700	0.000	1	108.2700	0.000	1	109.1957	1.096	3	108.2638	3.533	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:4:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]C[5]O){2|C<4>}	109.3890	0.000	1	109.3890	0.000	1	108.1683	1.258	4	108.1683	1.258	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:4:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	107.5200	0.000	1	107.5200	0.000	1	108.1683	1.258	4	108.1683	1.258	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:4:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]C[5]C){2|H<1>}	108.8040	0.000	1	108.8040	0.000	1	108.1683	1.258	4	108.1683	1.258	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:2:4:2:	4:4:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC){1|Zn<5>,1|C<3>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]N[5]C){1|Zn<5>,1|C<3>}	106.9600	0.000	1	106.9600	0.000	1	108.1683	1.258	4	108.1683	1.258	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	3:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O){1|C<4>,5|C<3>}	104.0330	0.000	1	104.0330	0.000	1	104.0330	0.000	1	107.9873	11.738	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	3:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O){1|H<1>,1|O<1>,4|C<3>}	109.9645	0.145	2	109.9645	0.021	2	109.9645	0.021	2	107.9873	11.738	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	4:3:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O){1|C<3>,3|C<4>}	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.8743	0.168	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	4:3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]O){4|C<3>}	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.8743	0.168	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){6|C<3>}	108.5750	0.000	1	108.5750	0.000	1	109.0162	0.163	4	108.8743	0.168	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C){1|O<1>,3|C<3>}	109.5540	0.000	1	109.5540	0.000	1	109.0162	0.163	4	108.8743	0.168	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){1|O<1>,5|C<3>}	108.9680	0.000	2	108.9680	0.000	2	109.0162	0.163	4	108.8743	0.168	6	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:4:2:2:	4:1:	4:2:	C[5a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:N[5]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH)	O(C[5]C[5a]C[5]O[5])(H)	O[5](C[5]C[5a]C[5]O)(N[5]C[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH){1|H<1>,3|C<3>}	O(C[5]C[5a]C[5]O[5])(H)	O[5](C[5]C[5a]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	110.0310	1.095	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:4:2:2:	4:1:	4:2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(N[5]C[5]){2|C<4>,3|C<3>}	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	110.0310	1.095	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O){1|C<3>,4|C<4>}	108.1710	0.000	1	108.6750	0.508	2	108.6750	0.508	2	108.6750	0.508	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]O){5|C<4>}	109.1790	0.000	1	108.6750	0.508	2	108.6750	0.508	2	108.6750	0.508	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	3:4:2:2:	4:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	O(C[5]C[6a]C[5]O[5])(CCO)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[6a]C[5]O[5])(CCO)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	3:4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H)	O(C[5]C[5,5,6]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]HO)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H){2|H<1>,3|C<3>,3|C<4>}	O(C[5]C[5,5,6]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]HO){1|H<1>,2|C<3>,2|C<4>}	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	109.4723	1.309	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	3:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO){1|C<3>,1|O<1>,3|C<4>}	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	109.4723	1.309	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<4>,2|C<3>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	109.4723	1.309	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H){2|C<3>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	109.4723	1.309	4	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H){1|O<1>,5|C<4>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|H<1>,3|C<4>}	109.2830	0.000	1	109.2830	0.000	1	108.7945	0.210	4	109.2449	0.347	8	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	108.6317	0.395	3	108.6317	0.156	3	108.7945	0.210	4	109.2449	0.347	8	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(C[5]C[5]O){2|C<4>,2|H<1>}	109.6953	0.244	4	109.6953	0.059	4	109.6953	0.059	4	109.2449	0.347	8	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	N[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](N[5]C[6a]C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	O(C[5]C[5]O[5]H)(CCO)	O[5](N[5]C[6a]C[5])(C[5]C[5]HO){3|C<3>,3|H<1>}	111.8700	0.225	2	111.8700	0.051	2	111.8700	0.051	2	111.8700	0.051	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]HO)(N[5]C[5]C){2|C<4>,2|H<1>}	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CCO)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CCO)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO){1|C<4>,3|H<1>,3|O<2>}	111.1210	0.000	1	111.1210	0.000	1	110.0850	2.147	2	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]O)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	109.0490	0.000	1	109.0490	0.000	1	110.0850	2.147	2	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H)	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H)	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H){1|H<1>,1|O<2>,5|C<4>}	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO){2|C<4>,2|H<1>}	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H)	O(C[5]C[5,6,6]O[5]H)(CCO)	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO)	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5,6,6]O[5]H)(CCO)	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO){1|O<2>,2|C<4>,3|C<3>}	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	O(C[5]C[5,6,6]O[5]H)(CCO)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6,6]O[5]H)(CCO)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|C<3>,2|C<4>}	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	O(C[5]C[5,6]O[5]H)(CCO)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CC[6a]O)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H){1|H<1>,1|P<4>,2|C<4>}	O(C[5]C[5]O[5]H)(CC[6a]O)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO){1|C<3>,1|C<4>,2|P<4>,3|H<1>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	107.2698	1.505	5	107.2698	2.266	5	107.2698	2.266	5	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|C<4>,2|H<1>,3|O<2>}	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	110.2400	0.000	1	110.2400	0.000	1	109.7929	3.843	7	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CC[6a]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5]O[5]H)(CC[6a]O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|H<1>,2|N<3>}	106.3810	0.000	1	106.3810	0.000	1	109.7929	3.843	7	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CC[6a]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){4|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]O)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|N<3>,3|H<1>}	111.5390	0.100	2	111.5390	0.010	2	109.7929	3.843	7	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	110.5300	0.120	2	110.5300	0.014	2	109.7929	3.843	7	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]HO)(C[5]S[5]CH)	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	O(C[5]C[5]O[5]H)(CCO)	O[5](C[5]C[5]HO)(C[5]S[5]CH){2|H<1>}	107.7910	0.000	1	107.7910	0.000	1	109.7929	3.843	7	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	109.0226	3.879	24	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	3:4:	C[4,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-3:C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H)	O(C[5]C[4,5]O[5]H)(CH3)	O[5](C[5]C[4,5,5]O)(C[5]C[4,5]HO)	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,3|C<4>}	O(C[5]C[4,5]O[5]H)(CH3)	O[5](C[5]C[4,5,5]O)(C[5]C[4,5]HO){1|H<1>,3|C<4>}	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	109.4737	0.453	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	3:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	109.4737	0.453	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HO)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H){4|C<3>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HO){1|H<1>,4|C<3>}	110.2260	0.000	1	110.2260	0.000	1	110.2260	0.000	1	109.4737	0.453	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	109.2620	0.220	3	109.2620	0.048	3	109.4133	0.124	4	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O){1|C<4>,1|P<4>,2|H<1>}	109.8670	0.000	1	109.8670	0.000	1	109.4133	0.124	4	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){2|C<4>,2|H<1>}	110.7520	0.000	1	110.7520	0.000	1	109.5083	0.454	6	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CCHH)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	O(C[5]C[5,5]O[5]H)(CCHH)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	109.3635	0.135	2	109.3635	0.018	2	109.5083	0.454	6	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){2|C<4>,2|H<1>}	108.9840	0.000	1	108.9460	0.003	2	109.5083	0.454	6	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	108.9080	0.000	1	108.9460	0.003	2	109.5083	0.454	6	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5]O)	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]HO)(C[5]C[5]O){2|C<4>,2|H<1>}	109.6790	0.000	1	109.6790	0.000	1	109.5083	0.454	6	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,5]HO)(C[5]C[5,5]O){1|H<1>,1|S<3>,2|C<4>}	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,2|S<4>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	108.6550	0.000	1	109.3945	1.094	2	109.8700	1.225	3	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	110.1340	0.000	1	109.3945	1.094	2	109.8700	1.225	3	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|C<4>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5,6]HO)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|N<3>}	110.8210	0.000	1	110.8210	0.000	1	109.8700	1.225	3	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<4>,3|H<1>}	110.1360	0.000	1	110.1360	0.000	1	109.4368	0.299	11	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.7655	0.033	2	109.5673	0.108	4	109.4368	0.299	11	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){2|C<4>,2|H<1>}	109.3690	0.406	2	109.5673	0.108	4	109.4368	0.299	11	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|Se<2>,1|H<1>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|Se<2>,3|H<1>}	109.3385	0.192	2	109.3385	0.037	2	109.4368	0.299	11	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>}	108.6465	0.763	2	109.0647	0.816	3	109.4368	0.299	11	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|N<3>,3|H<1>}	109.9010	0.000	1	109.0647	0.816	3	109.4368	0.299	11	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O)	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HO)(C[5]C[5]O){1|S<2>,3|H<1>}	109.5290	0.000	1	109.5290	0.000	1	109.4368	0.299	11	109.4733	0.382	25	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:2:4:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3)	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	O[5](C[5]C[5]CO)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3){1|O<1>}	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	O[5](C[5]C[5]CO)(C[5]O[5]O){2|C<4>}	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:3:2:	4:1:	4:2:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH){1|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(N[5]C[5]){1|C<3>,2|C<4>}	109.6140	0.000	1	109.6140	0.000	1	110.3563	0.416	3	110.3563	0.416	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:3:2:	4:1:	4:2:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH){1|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	110.7275	0.076	2	110.7275	0.006	2	110.3563	0.416	3	110.3563	0.416	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:3:2:	4:4:	4:3:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:C-4:	C[5]-4:B[5]-3:	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(B[5]C[5]C)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC){1|B<6>,1|C<4>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(B[5]C[5]C){1|Ru<11>,1|B<5>,1|B<6>}	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	3:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH){2|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){2|C<3>,3|H<1>}	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.6525	0.000	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	3:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH){1|C<2>,1|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CO){1|C<2>,2|C<3>,2|H<1>}	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.6525	0.000	2	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:3:	C[5,5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH)	O(C[5]C[5,5,6]O[5]C)(H)	O[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,5,6]O[5]C)(H)	O[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	108.6733	2.802	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]C){1|N<3>,2|C<3>}	108.6780	0.000	1	108.6780	0.000	1	107.8375	1.413	2	108.6733	2.802	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]C){1|O<2>,2|C<3>}	106.9970	0.000	1	106.9970	0.000	1	107.8375	1.413	2	108.6733	2.802	3	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:3:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC)	O(C[5]C[5]O[5]C)(CCO)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5]O[5]C)(CCO)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO){1|C<3>,3|C<4>,3|H<1>}	100.7510	0.000	1	100.7510	0.000	1	100.7510	0.000	1	100.7510	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:3:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O){1|O<2>,2|C<4>}	107.7230	0.000	1	107.7685	0.203	10	107.7685	0.203	10	107.8956	0.278	20	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:3:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<3>}	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O){1|C<3>,1|C<4>,1|O<2>}	107.8910	0.000	1	107.7685	0.203	10	107.7685	0.203	10	107.8956	0.278	20	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:3:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>}	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O){1|O<2>,2|C<4>}	107.7589	0.509	8	107.7685	0.203	10	107.7685	0.203	10	107.8956	0.278	20	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<3>,1|O<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>}	108.0880	0.609	4	108.1628	0.169	9	108.0227	0.347	10	107.8956	0.278	20	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CO)(C[5]N[5]O){1|O<2>,2|C<4>}	108.2226	0.225	5	108.1628	0.169	9	108.0227	0.347	10	107.8956	0.278	20	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC)	O(C[5]C[5]O[5]C)(CC[5]2H)	O[5](C[5]C[5]CO)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC){1|O<1>}	O(C[5]C[5]O[5]C)(CC[5]2H)	O[5](C[5]C[5]CO)(C[5]O[5]O){2|C<4>}	106.7620	0.000	1	106.7620	0.000	1	108.0227	0.347	10	107.8956	0.278	20	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:3:2:2:	4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH)	O(C[5]C[5]C[6]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH){2|C<4>,5|C<3>}	O(C[5]C[5]C[6]O[5])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:3:2:2:	4:4:	4:3:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6])	O(C[5]C[5]2O[5])(C[6]C[6]2H)	O[5](C[5]C[5]2O)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	O(C[5]C[5]2O[5])(C[6]C[6]2H)	O[5](C[5]C[5]2O)(C[5]C[5]O){2|C<4>,3|H<1>}	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:4:2:2:	4:4:	4:3:	C[5,6]-4:C[3]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi)	O(C[5]C[5,6]C[3]O[5])(SiC3)	O[5](C[5]C[5,6]C[3]O)(C[5]N[5,6]O)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5,6]C[3]O[5])(SiC3)	O[5](C[5]C[5,6]C[3]O)(C[5]N[5,6]O){1|O<2>,2|C<3>,3|C<4>}	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	109.4342	2.726	180	109.2316	2.615	232
474	893	976	0:SP3_SP3_SP3	C[3x5,6]	O	O[5,5]	4:4:2:2:	4:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){1|C<3>,3|C<4>,4|H<1>}	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	110.7180	0.000	1	110.6120	0.022	2	110.6120	0.022	2	110.6120	0.022	2	110.6120	0.022	2	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[3x5,6]	O	O[5,5]	4:4:2:2:	4:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){4|C<4>,4|H<1>}	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	110.5060	0.000	1	110.6120	0.022	2	110.6120	0.022	2	110.6120	0.022	2	110.6120	0.022	2	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[4x5]	O	O[5,5]	4:4:2:2:	4:1:	4:4:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[4x5]-4:H-1:	C[3,5,5]-4:C[4x5]-4:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O){2|C<3>,2|C<4>,2|H<1>}	111.1700	0.225	2	111.1567	0.026	3	111.0092	0.062	6	111.0092	0.062	6	111.0092	0.062	6	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[4x5]	O	O[5,5]	4:4:2:2:	4:1:	4:4:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[4x5]-4:H-1:	C[3,5,5]-4:C[4x5]-4:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O){2|C<3>,2|C<4>,2|H<1>}	111.1300	0.000	1	111.1567	0.026	3	111.0092	0.062	6	111.0092	0.062	6	111.0092	0.062	6	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[4x5]	O	O[5,5]	4:4:2:2:	4:1:	4:4:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[4x5]-4:H-1:	C[3,5,5]-4:C[4x5]-4:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O){2|C<3>,2|C<4>,2|H<1>}	110.7260	0.127	2	110.8617	0.063	3	111.0092	0.062	6	111.0092	0.062	6	111.0092	0.062	6	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[4x5]	O	O[5,5]	4:4:2:2:	4:1:	4:4:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[4x5]-4:H-1:	C[3,5,5]-4:C[4x5]-4:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<4>,5|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	O[5,5](C[3,5,5]C[3,5,5,6,6]C[3,5,5,6]Sn)(C[4x5]C[3x5,6,6]C[3x5,6]O){2|C<3>,2|C<4>,2|H<1>}	111.1330	0.000	1	110.8617	0.063	3	111.0092	0.062	6	111.0092	0.062	6	111.0092	0.062	6	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6,6]	O	O[5,5]	4:4:2:2:	4:4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	C[5,5,6,6]-4:C-4:	C[4,5,5,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2O)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2O){2|C<3>,2|H<1>,3|O<2>}	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5,5]	3:2:3:2:	4:4:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O){1|C<4>,3|C<3>}	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.5050	0.213	4	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5,5]	4:2:3:2:	4:4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	112.8850	0.081	2	112.8850	0.006	2	112.8850	0.006	2	112.5760	0.290	3	112.5050	0.213	4	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5,5]	4:2:3:2:	4:4:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O){2|C<3>,4|H<1>}	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	112.5760	0.290	3	112.5050	0.213	4	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[3x5,6]-4:C[5,6,6]-4:O[5,6]-2:O-2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	O[5,6](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5,6,6]C[4x6]O[5,6]C)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	O[5,6](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5,6,6]C[4x6]O[5,6]C){1|C<3>,6|C<4>}	110.2050	0.412	4	110.2050	0.170	4	110.2050	0.170	4	110.0406	0.263	5	110.1180	0.246	6	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[3x5]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH)	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]C[5,6]O)	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH){4|H<1>,5|C<4>}	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]C[5,6]O){1|O<2>,4|C<4>,4|H<1>}	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	110.0406	0.263	5	110.1180	0.246	6	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5,6]	4:4:2:2:	4:4:	4:4:	C[3x5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,5,6]-4:Si-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi)	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	O[5,6](C[5,5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	O[5,6](C[5,5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]HH){1|C<3>,1|H<1>,4|C<4>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.1180	0.246	6	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5]-2:O-2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	O[5](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]O[5,6]C[6]C)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH){2|O<2>,6|C<4>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	O[5](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]O[5,6]C[6]C){3|H<1>,5|C<4>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.3013	0.098	3	109.8696	0.795	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH)	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH){1|O<2>,2|H<1>,4|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH){2|H<1>,5|C<4>}	109.3410	0.433	2	109.3410	0.187	2	109.3410	0.187	2	109.3013	0.098	3	109.8696	0.795	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	110.1537	0.942	6	109.8696	0.795	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|C<3>,1|H<1>,5|C<4>}	110.1830	0.000	1	110.2788	1.060	5	110.2788	1.060	5	110.1537	0.942	6	109.8696	0.795	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|H<1>,6|C<4>}	108.6350	0.000	1	110.2788	1.060	5	110.2788	1.060	5	110.1537	0.942	6	109.8696	0.795	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<1>,4|C<4>,7|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|C<3>,1|H<1>,5|C<4>}	110.6905	0.593	2	110.2788	1.060	5	110.2788	1.060	5	110.1537	0.942	6	109.8696	0.795	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<2>,4|C<4>,7|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|C<3>,1|H<1>,5|C<4>}	111.1950	0.000	1	110.2788	1.060	5	110.2788	1.060	5	110.1537	0.942	6	109.8696	0.795	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	3:3:2:2:	4:4:	4:4:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6a]-3:C[3x5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC)	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC){2|H<1>,2|O<2>,5|C<3>}	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O){1|C<4>,1|H<1>,6|C<3>}	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	110.0857	0.089	3	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC)	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC){1|C<4>,3|C<3>,5|H<1>}	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.1940	0.328	2	110.1940	0.108	2	110.1940	0.108	2	110.0857	0.089	3	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:2:3:2:	4:1:	4:4:	C[3x5,6]-4:O[5]-2:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH)	O(C[5,5]C[3x5,6]C[5]O[5])(H)	O[5](C[5,5]C[3x5,6]C[5]O)(C[5,6]C[5,6]2H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH){4|H<1>,5|C<4>}	O(C[5,5]C[3x5,6]C[5]O[5])(H)	O[5](C[5,5]C[3x5,6]C[5]O)(C[5,6]C[5,6]2H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>,2|O<2>,3|C<3>}	111.8380	0.000	1	111.8380	0.000	1	112.9240	2.359	2	112.2727	2.452	3	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	114.0100	0.000	1	114.0100	0.000	1	112.9240	2.359	2	112.2727	2.452	3	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5,6]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5,6]C[5,6]2O[5,6])(C[5,5]C[5,5,6]C[5]O)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH){2|C<3>,3|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5,6]C[5,6]2O[5,6])(C[5,5]C[5,5,6]C[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	112.2727	2.452	3	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[5]H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[5]H){1|Fe<10>,1|N<3>,3|C<4>,4|C<3>}	108.4080	0.000	1	108.4080	0.000	1	108.7889	0.993	7	109.5011	4.910	8	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H){1|C<4>,1|N<3>,6|C<3>}	108.1970	0.325	2	108.1970	0.106	2	108.7889	0.993	7	109.5011	4.910	8	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|C<2>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	110.9580	0.000	1	109.3727	1.974	3	108.7889	0.993	7	109.5011	4.910	8	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	108.5800	0.423	2	109.3727	1.974	3	108.7889	0.993	7	109.5011	4.910	8	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH){2|H<1>,4|C<3>,4|C<4>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	108.6020	0.000	1	108.6020	0.000	1	108.7889	0.993	7	109.5011	4.910	8	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH)	O(C[5,5]C[5,5,6]C[5,6a]O[5])(H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6a]N[6])(C[5,5]C[5,5,6]C[5,6a]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH){2|N<3>,6|C<3>}	O(C[5,5]C[5,5,6]C[5,6a]O[5])(H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6a]N[6])(C[5,5]C[5,5,6]C[5,6a]O){1|N<3>,2|H<1>,7|C<3>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	109.5011	4.910	8	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:O-2:	C[5,5]-4:Si-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi)	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi){2|C<4>,5|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CC)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|H<1>,2|O<1>,5|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CC){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.9200	0.000	1	108.9200	0.000	1	110.3585	1.893	4	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.1800	0.000	1	110.8380	1.460	3	110.3585	1.893	4	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){2|H<1>,2|O<1>,4|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1670	0.467	2	110.8380	1.460	3	110.3585	1.893	4	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6,6]C[5]O)(C[5]C[5,6,6]C[6a]2)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6,6]C[5]O)(C[5]C[5,6,6]C[6a]2){1|F<1>,3|C<4>,3|H<1>,4|C<3>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,2|C<4>,6|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH){1|O<2>,3|C<4>,3|H<1>}	109.4940	0.000	2	109.4940	0.000	2	109.8538	0.478	4	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.2135	0.957	2	110.2135	0.915	2	109.8538	0.478	4	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH)	O(C[5,5]C[5,5]2O[5])(H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5]2O[5])(H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.5195	0.139	2	108.5195	0.019	2	110.1776	2.513	5	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH)	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]2H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]2H){2|O<2>,4|C<4>,4|H<1>}	110.5490	0.000	1	110.5490	0.000	1	110.1776	2.513	5	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH)	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,3|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.6500	0.242	2	111.6500	0.058	2	110.1776	2.513	5	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH)	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]O){1|F<1>,5|C<4>,5|H<1>}	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	110.2957	1.375	16	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC)	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH){2|H<1>,2|O<2>,3|C<3>}	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[6]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6])	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]2){3|C<3>,3|C<4>,6|H<1>}	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC)	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC){1|S<4>,2|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	112.5120	0.000	1	112.5120	0.000	1	111.8170	4.370	6	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC){6|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	107.8820	0.000	1	107.8820	0.000	1	111.8170	4.370	6	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	111.7650	0.000	1	111.7650	0.000	1	111.8170	4.370	6	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.1240	0.000	1	114.1240	0.000	1	111.8170	4.370	6	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC)	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	112.3095	0.272	2	112.3095	0.074	2	111.8170	4.370	6	111.7259	2.989	9	110.5533	2.866	42	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){1|H<1>,1|O<2>,6|C<4>}	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O){3|H<1>,3|O<2>,6|C<4>}	109.4080	0.000	1	109.0205	0.300	2	109.0205	0.300	2	109.4361	0.463	7	109.4361	0.463	7	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){2|O<2>,6|C<4>}	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O){3|H<1>,3|O<2>,6|C<4>}	108.6330	0.000	1	109.0205	0.300	2	109.0205	0.300	2	109.4361	0.463	7	109.4361	0.463	7	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	110.5670	0.000	1	110.5670	0.000	1	110.1000	0.436	2	109.4361	0.463	7	109.4361	0.463	7	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH)	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	109.6330	0.000	1	109.6330	0.000	1	110.1000	0.436	2	109.4361	0.463	7	109.4361	0.463	7	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH)	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]O)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	108.9415	0.285	2	108.9415	0.081	2	108.9415	0.081	2	109.4361	0.463	7	109.4361	0.463	7	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH)	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5a]C[6]O[5])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5a]C[6]O[5]){2|C<3>,3|C<4>,4|H<1>}	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	109.4361	0.463	7	109.4361	0.463	7	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	O[5](C[5,6,6]C[5,4x6]C[6,6]O)(C[5,6]C[5]C[6]2)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	O[5](C[5,6,6]C[5,4x6]C[6,6]O)(C[5,6]C[5]C[6]2){1|O<1>,5|H<1>,6|C<4>}	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7950	0.000	1	110.7950	0.000	1	109.9580	1.401	2	109.9580	1.401	2	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|O<1>,2|H<1>,3|C<4>}	109.1210	0.000	1	109.1210	0.000	1	109.9580	1.401	2	109.9580	1.401	2	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH)	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,5]C[3x5,6,6]O[5]C)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH){2|C<3>,3|C<4>,3|O<2>}	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,5]C[3x5,6,6]O[5]C){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	109.2927	1.346	3	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	109.2927	1.346	3	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5]){1|O<1>,4|H<1>,5|C<4>}	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	109.2927	1.346	3	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC){2|C<3>,2|C<4>,6|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	110.1510	0.523	2	110.1510	0.274	2	110.1510	0.274	2	109.2587	2.526	3	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC)	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5]C[5,5,6,6]HH)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC){4|C<4>,4|H<1>}	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	O[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5]C[5,5,6,6]HH){1|H<1>,1|O<2>,5|C<4>}	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	109.2587	2.526	3	109.5486	1.325	9	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:3:3:2:	4:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,5|H<1>}	108.6085	0.163	2	108.6085	0.027	2	108.6085	0.027	2	108.6085	0.027	2	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:2:2:	4:4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC)	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC){2|C<4>,4|H<1>}	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O){1|C<3>,3|C<4>,3|H<1>}	110.0130	0.061	2	110.0130	0.004	2	110.7708	0.514	5	110.7708	0.514	5	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:2:2:	4:4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC)	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC){1|C<4>,5|H<1>}	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O){1|C<3>,1|C<4>,5|H<1>}	111.2760	0.264	3	111.2760	0.070	3	110.7708	0.514	5	110.7708	0.514	5	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:3:2:	4:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,6|H<1>}	107.8890	0.137	2	107.8890	0.019	2	107.8890	0.019	2	109.0405	1.786	4	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:3:2:	4:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.1920	0.187	2	110.1920	0.035	2	110.1920	0.035	2	109.0405	1.786	4	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:3:2:	4:4:	4:4:	O[5,6]-2:C[6]-4:N[5]-3:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC)	O(C[5,6]O[5,6]C[6]N[5])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC){1|C<4>,1|N<3>,3|H<1>}	O(C[5,6]O[5,6]C[6]N[5])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O){1|N<3>,2|C<4>,4|H<1>}	111.4575	0.448	2	111.4575	0.200	2	111.4575	0.200	2	111.4575	0.200	2	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:4:2:	4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O){1|C<3>,4|H<1>,6|C<4>}	108.7460	0.000	1	108.0857	0.333	3	108.0857	0.333	3	108.2813	0.209	7	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:4:2:	4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O){5|H<1>,7|C<4>}	107.7555	0.111	2	108.0857	0.333	3	108.0857	0.333	3	108.2813	0.209	7	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:4:2:	4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O){1|C<3>,2|C<4>,6|H<1>}	107.9160	0.000	1	108.3270	0.131	3	108.4280	0.128	4	108.2813	0.209	7	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:4:2:	4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|Si<4>,2|C<4>,3|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O){1|Si<4>,2|C<4>,6|H<1>}	108.5325	0.090	2	108.3270	0.131	3	108.4280	0.128	4	108.2813	0.209	7	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	2:4:4:2:	4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH)	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[5,6]O[5,6]C[5]C[6])(H)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	108.7310	0.000	1	108.7310	0.000	1	108.4280	0.128	4	108.2813	0.209	7	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	3:2:2:2:	4:4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|C<3>}	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	4:2:2:1:	4:1:	4:4:	C[5,5,3x6]-4:O[5,6]-2:O-2:H-1:	C[5,6]-4:H-1:	C[4x5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H)	O(C[5,6]C[5,5,3x6]O[5,6]H)(H)	O[5,6](C[4x5,6,6]C[3x5,3x6]2C[5,3x6])(C[5,6]C[5,5,3x6]HO)	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,3x6]O[5,6]H)(H)	O[5,6](C[4x5,6,6]C[3x5,3x6]2C[5,3x6])(C[5,6]C[5,5,3x6]HO){1|O<2>,3|H<1>,5|C<4>}	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	4:2:3:2:	4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	O(C[5,6]C[6,6]O[5,6]C[5])(H)	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH){2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[6,6]O[5,6]C[5])(H)	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,3|H<1>}	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	4:2:4:2:	4:1:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH)	O(C[5,6]C[3,5]O[5,6]C[6])(H)	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5,6]C[3,5]O[5,6]C[6])(H)	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.0420	0.000	1	109.0420	0.000	1	109.0420	0.000	1	108.5867	1.660	6	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	4:2:4:2:	4:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH)	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	O[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	O[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	109.6645	1.535	2	109.6645	2.357	2	109.6645	2.357	2	108.5867	1.660	6	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	4:2:4:2:	4:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH)	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6,6]C[5]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6,6]C[5]O){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5867	1.660	6	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	4:2:4:2:	4:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH)	O(C[5,6]C[5,6]O[5,6]C[5])(H)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6]O[5,6]C[5])(H)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O){2|C<3>,3|C<4>,7|H<1>}	107.2800	0.000	2	107.2800	0.000	2	107.2800	0.000	2	108.5867	1.660	6	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5,6]	4:4:2:2:	4:1:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH)	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	O[5,6](C[5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	O[5,6](C[5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	109.0146	0.967	5	109.0146	0.936	5	109.0146	0.936	5	109.0146	0.936	5	109.2918	1.812	34	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	2:4:2:2:	4:4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC)	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC){2|C<4>,4|H<1>}	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH){1|C<3>,1|H<1>,3|C<4>}	111.7045	0.173	2	111.7045	0.030	2	111.4918	0.105	5	111.4918	0.105	5	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	2:4:2:2:	4:4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC)	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC){1|C<4>,5|H<1>}	O(C[5,6]O[5,6]C[6]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|H<1>}	111.3500	0.346	3	111.3500	0.119	3	111.4918	0.105	5	111.4918	0.105	5	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	3:2:2:2:	4:4:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC){1|H<1>,3|C<3>}	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:1:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>}	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6,6a]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	109.6898	1.838	4	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){2|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO){2|C<4>,3|H<1>}	109.5500	0.938	2	109.5500	0.879	2	110.1463	1.506	3	109.6898	1.838	4	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	111.3390	0.000	1	111.3390	0.000	1	110.1463	1.506	3	109.6898	1.838	4	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:2:2:2:	4:4:	4:4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC){1|C<3>,1|H<1>,3|C<4>}	114.0515	0.299	2	114.0515	0.089	2	114.0515	0.089	2	114.0515	0.089	2	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O){1|O<2>,4|H<1>,6|C<4>}	110.7260	0.013	2	110.6503	0.017	3	110.6503	0.017	3	110.6503	0.017	3	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O){5|H<1>,6|C<4>}	110.4990	0.000	1	110.6503	0.017	3	110.6503	0.017	3	110.6503	0.017	3	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	109.8600	0.735	3	109.8600	0.541	3	109.7535	0.406	4	110.3287	1.302	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<4>}	109.4340	0.000	1	109.4340	0.000	1	109.7535	0.406	4	110.3287	1.302	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	O(C[5,6]C[5,6]2O[5])(H)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6]2O[5])(H)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	110.3287	1.302	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,6]-4:N[5,6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH)	O(C[5,6]C[5,6]N[5,6]O[5])(H)	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]N[5,6]O[5])(H)	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	110.5510	1.314	2	110.5510	1.726	2	110.5510	1.726	2	110.3287	1.302	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.3310	0.000	1	111.3310	0.000	1	110.8600	1.120	3	110.8600	1.120	3	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,2|C<3>,3|H<1>}	109.6480	0.000	1	109.6480	0.000	1	110.8600	1.120	3	110.8600	1.120	3	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	111.6010	0.000	1	111.6010	0.000	1	110.8600	1.120	3	110.8600	1.120	3	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH)	O(C[5,6]C[3,5,6]C[6]O[5])(H)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[3,5,6]C[6]O[5])(H)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH){3|H<1>,4|C<4>}	108.2870	0.221	4	108.2870	0.049	4	108.2870	0.049	4	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6]O[5,6]C[6]C){4|C<4>,4|H<1>}	109.0625	0.047	2	109.0625	0.002	2	108.4347	0.622	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	109.5670	0.000	1	109.5670	0.000	1	108.4347	0.622	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]O){5|C<4>,5|H<1>}	107.8377	0.279	4	107.8377	0.078	4	108.4347	0.622	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH){1|O<2>,2|H<1>,4|C<4>}	106.8040	0.000	1	106.8040	0.000	1	106.9727	4.210	6	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	106.7920	0.000	1	106.7920	0.000	1	106.9727	4.210	6	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	109.9050	0.000	1	109.9050	0.000	1	106.9727	4.210	6	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,3|C<4>,3|H<1>}	104.8020	0.000	1	104.8020	0.000	1	106.9727	4.210	6	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	106.7665	2.756	2	106.7665	7.593	2	106.9727	4.210	6	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH)	O(C[5,6]C[5,6]2O[5])(H)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,6]2O[5])(H)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O){2|O<2>,3|H<1>,4|C<3>}	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH){1|O<2>,3|C<4>,3|H<1>}	108.9250	0.000	1	108.9250	0.000	1	109.0814	0.306	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	108.8745	0.494	2	108.8745	0.244	2	109.0814	0.306	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	108.7940	0.000	1	108.7940	0.000	1	109.0814	0.306	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<4>,1|O<1>,6|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<4>}	109.2490	0.000	1	109.2490	0.000	1	109.0814	0.306	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.6730	0.000	1	108.6730	0.000	1	109.0814	0.306	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|S<4>,2|C<4>,4|H<1>}	110.1800	0.000	1	110.1800	0.000	1	109.0814	0.306	7	108.4145	2.082	26	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO){1|O<2>,2|H<1>,3|C<4>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	109.8496	1.995	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC)	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	109.8496	1.995	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH){1|C<4>,3|C<3>,3|H<1>}	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.8496	1.995	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	109.8496	1.995	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC)	O(C[5,6]C[5,6]2O[5])(CCCH)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]2O[5])(CCCH)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	109.8496	1.995	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC){1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	109.6770	0.000	1	109.6770	0.000	1	110.2390	0.632	2	109.8496	1.995	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5,6]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H){2|C<4>,2|O<2>,6|H<1>}	110.8010	0.000	1	110.8010	0.000	1	110.2390	0.632	2	109.8496	1.995	7	109.6493	3.289	59	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:2:2:1:	4:4:	4:4:	N[5]-2:O[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H)	O(C[4,5]C[4,5]N[5]O[4])(C[5]N[5]O[5]H)	O[5](C[5]C[5]HO)(C[5]N[5]HO)	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H){1|C<3>,1|H<1>,1|O<2>}	O(C[4,5]C[4,5]N[5]O[4])(C[5]N[5]O[5]H)	O[5](C[5]C[5]HO)(C[5]N[5]HO){1|C<3>}	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.2648	7.313	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:2:2:1:	4:4:	4:4:	N[5]-2:O[5]-2:O-2:H-1:	C[6,6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H)	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO)	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H){1|O<2>,2|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO){3|C<3>}	111.5725	0.694	2	111.5725	0.481	2	111.5725	0.481	2	110.2648	7.313	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:2:2:1:	4:4:	4:4:	O[5]-2:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(OC)(H)	O(C[5]O[5]2H)(CH3)	O[5](C[5]C[5]CH)(C[5]O[5]HO)	C[5](O[5]C[5])2(OC)(H){2|C<4>,2|H<1>}	O(C[5]O[5]2H)(CH3)	O[5](C[5]C[5]CH)(C[5]O[5]HO){1|C<4>,1|H<1>}	109.0740	4.739	2	109.0740	22.458	2	109.0740	22.458	2	110.2648	7.313	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:2:4:2:	4:4:	4:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC)	O(C[5]O[5]2C)(CH3)	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC){1|C<3>,2|C<4>}	O(C[5]O[5]2C)(CH3)	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO){1|C<3>,2|H<1>,4|C<4>}	110.7250	0.315	2	110.7250	0.099	2	109.2283	10.164	4	109.2283	10.164	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:2:4:2:	4:4:	4:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)(OC)	O(C[5]O[5]2C)(CH3)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO)	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	O(C[5]O[5]2C)(CH3)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO){1|H<1>,4|C<4>}	104.4580	0.000	1	104.4580	0.000	1	109.2283	10.164	4	109.2283	10.164	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:2:4:2:	4:4:	4:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)(OC)	O(C[5]O[5]2C)(CH3)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO)	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	O(C[5]O[5]2C)(CH3)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO){1|C<3>,2|C<4>,2|H<1>}	111.0050	0.000	1	111.0050	0.000	1	109.2283	10.164	4	109.2283	10.164	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:3:2:1:	4:4:	4:4:	O[5]-2:C[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO)	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H){1|H<1>,2|C<3>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:3:2:2:	4:4:	4:4:	O[5]-2:C[5]-3:O-2:O-2:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2	O(C[5]C[5]O[5]O)(CH3)	O[5](C[5,5]C[5]3)(C[5]C[5]OO)	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2{1|C<4>,2|C<3>}	O(C[5]C[5]O[5]O)(CH3)	O[5](C[5,5]C[5]3)(C[5]C[5]OO){2|O<2>,5|C<3>}	110.7465	2.169	2	110.7465	4.703	2	110.7465	4.703	2	110.7465	4.703	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	2:3:4:2:	4:1:	4:4:	O[5]-2:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<3>,2|C<4>,3|H<1>}	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H)	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	110.9630	0.315	4	110.9630	0.099	4	110.9630	0.099	4	111.1104	0.183	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:1:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5]H)(H)	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.1104	0.183	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:4:	C[5,6]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<3>}	112.4980	0.000	1	112.4980	0.000	1	112.4980	0.000	1	111.9668	0.589	10	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H)	O(C[5]C[5,6a]O[5]H)(CCHH)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]O[5]H)(CCHH)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	112.8615	0.151	2	112.8615	0.023	2	112.4408	0.213	5	111.9668	0.589	10	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H)	O(C[5]C[5,6a]O[5]H)(CH3)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]O[5]H)(CH3)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	112.2130	0.471	2	112.2130	0.222	2	112.4408	0.213	5	111.9668	0.589	10	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	O(C[5]C[5,6a]O[5]H)(CH3)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	O(C[5]C[5,6a]O[5]H)(CH3)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO){4|C<3>}	112.0550	0.000	1	112.0550	0.000	1	112.4408	0.213	5	111.9668	0.589	10	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H)	O(C[4,5]C[5,6a]C[4,5]2)(C[5]C[5]O[5]H)	O[5](C[5]C[5]HO)(C[5]N[5]HO)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H){1|H<1>,1|O<2>,2|C<3>}	O(C[4,5]C[5,6a]C[4,5]2)(C[5]C[5]O[5]H)	O[5](C[5]C[5]HO)(C[5]N[5]HO){1|C<3>}	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	111.9668	0.589	10	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H){1|O<2>,2|C<4>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO){2|C<4>,3|H<1>}	111.6235	0.592	2	111.6235	0.350	2	111.6235	0.350	2	111.9668	0.589	10	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:1:	4:4:	4:4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]2O)(C[5]C[5]HO)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]2O)(C[5]C[5]HO){1|C<4>,1|O<2>,3|H<1>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	111.9668	0.589	10	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:O-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(OC)2	O(C[5]C[5]O[5]O)(CH3)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)2{3|C<3>}	O(C[5]C[5]O[5]O)(CH3)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO){4|C<3>}	110.3395	1.455	2	110.3395	2.116	2	110.3395	2.116	2	110.6308	1.877	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:2:	4:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:O-2:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	O(C[5]C[6a]O[5]2)(CC[6]HH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[6a]O[5]2)(CC[6]HH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.6620	0.000	1	109.6620	0.000	1	110.9220	3.175	2	110.6308	1.877	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:2:	4:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:O-2:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	O(C[5]C[6a]O[5]2)(CC[6]HH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[6a]O[5]2)(CC[6]HH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O){1|H<1>,2|C<3>,2|C<4>}	112.1820	0.000	1	112.1820	0.000	1	110.9220	3.175	2	110.6308	1.877	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:2:4:	4:4:	4:4:	C[5,6a]-3:O[5]-2:O-2:C-4:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH)	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH){2|C<3>,3|H<1>}	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH){2|C<3>}	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:3:2:	4:1:	4:4:	C[5,6a]-3:O[5]-2:C-3:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH)	O(C[5]C[5,6a]O[5]C)(H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]O[5]C)(H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO){2|C<3>}	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:2:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<3>,2|C<4>}	111.8310	0.000	1	111.8310	0.000	1	111.8310	0.000	1	111.8310	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	110.1610	3.827	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO){1|C<4>,3|C<3>}	111.3305	0.380	2	111.3305	0.144	2	111.1217	0.203	3	110.1610	3.827	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:2:4:2:	4:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH){1|C<3>,1|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|O<1>}	110.7040	0.000	1	110.7040	0.000	1	111.1217	0.203	3	110.1610	3.827	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:3:2:2:	4:1:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO){1|C<4>,3|C<3>}	110.8010	0.356	2	110.8010	0.127	2	110.8010	0.127	2	110.8010	0.127	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:3:2:2:	4:4:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[6,6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO){3|C<3>}	112.0905	0.312	2	112.0905	0.097	2	112.0905	0.097	2	112.0905	0.097	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:4:2:2:	4:2:	4:2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:O-2:	C[5]-4:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	O(C[5]C[6a]C[5]O[5])(OH)	O[5](C[5]C[6a]C[5]O)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[6a]C[5]O[5])(OH)	O[5](C[5]C[6a]C[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	110.8915	0.257	2	110.8915	0.066	2	110.8915	0.066	2	110.8915	0.066	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	O(C[5]C[6a]C[5]O[5])(SiC3)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[5]C[6a]C[5]O[5])(SiC3)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	111.5960	0.000	1	111.5960	0.000	1	110.4487	1.406	3	110.4487	1.406	3	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	O(C[5]C[6a]C[5]O[5])(SiC3)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[6a]C[5]O[5])(SiC3)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	109.2280	0.000	1	109.2280	0.000	1	110.4487	1.406	3	110.4487	1.406	3	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	3:4:2:2:	4:4:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	O(C[5]C[6a]C[5]O[5])(SiC3)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	O(C[5]C[6a]C[5]O[5])(SiC3)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){1|P<4>,2|C<3>,3|H<1>}	110.5220	0.000	1	110.5220	0.000	1	110.4487	1.406	3	110.4487	1.406	3	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H){1|C<3>,2|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HO)(N[5]C[5]C){2|C<4>,2|H<1>}	111.8785	0.336	2	111.8785	0.113	2	111.8785	0.113	2	111.8785	0.113	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H)	O(C[5]C[3,5]O[5]H)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[3,5]O[5]H)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO){1|C<3>,1|C<4>,1|H<1>}	112.0650	0.000	1	112.0650	0.000	1	111.9240	0.040	2	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	O(C[5]C[3,5]O[5]H)(H)	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[3,5]O[5]H)(H)	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO){1|N<3>,2|C<4>,2|H<1>}	111.7830	0.000	1	111.7830	0.000	1	111.9240	0.040	2	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO){1|C<3>,2|C<4>,4|H<1>}	112.6960	0.000	1	112.6960	0.000	1	112.6960	0.000	1	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.9720	0.000	1	111.8940	0.638	3	111.8940	0.638	3	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.3550	0.008	2	111.8940	0.638	3	111.8940	0.638	3	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	108.8650	0.000	1	108.8650	0.000	1	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|O<2>,2|H<1>}	111.3840	0.000	1	111.3840	0.000	1	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	111.0790	0.000	1	111.0790	0.000	1	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){2|C<4>,2|O<2>}	111.2120	0.000	1	111.2120	0.000	1	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){1|N<3>,1|O<2>,2|H<1>}	112.9190	0.000	1	112.4750	0.394	2	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	112.0310	0.000	1	112.4750	0.394	2	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<3>,1|H<1>,2|O<2>}	111.9850	0.000	1	111.9210	0.084	3	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	111.8890	0.402	2	111.9210	0.084	3	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H)	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H){4|C<4>,4|H<1>}	O(C[5]C[5,5]O[5]H)(H)	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO){1|O<2>,4|C<4>}	108.9690	0.000	1	108.9690	0.000	1	111.2222	1.761	10	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	O(C[5]C[5,6,6]O[5]H)(H)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,6,6]O[5]H)(H)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	109.8315	0.449	2	109.8315	0.202	2	109.8315	0.202	2	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,5]C[5,5,6]C[5a]C[5])(C[5]C[5,6]HO)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,5]C[5,5,6]C[5a]C[5])(C[5]C[5,6]HO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H){2|C<4>,5|H<1>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	107.2620	0.000	1	107.2620	0.000	1	108.8835	5.259	2	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H){3|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|C<4>,1|N<3>,5|H<1>}	110.5050	0.000	1	110.5050	0.000	1	108.8835	5.259	2	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	110.0640	0.000	1	110.0640	0.000	1	110.8572	0.492	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	111.3080	0.004	2	111.3080	0.000	2	110.8572	0.492	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	111.4840	0.000	1	111.4840	0.000	1	110.8572	0.492	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(H)	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	110.1220	0.000	1	110.1220	0.000	1	110.8572	0.492	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5]HO)	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H){4|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[4,5]C[4,5,5]C[4,6]C)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,3x6]-4:C[5]-4:	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO)	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H){4|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO){5|C<4>,5|H<1>}	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H){1|H<1>,1|P<4>,2|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO){1|C<3>,1|C<4>,2|P<4>,3|H<1>}	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	110.9585	0.356	2	110.9585	0.127	2	110.8760	0.056	4	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){1|C<3>,3|H<1>,3|O<2>}	110.8770	0.000	1	110.8770	0.000	1	110.8760	0.056	4	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	110.7100	0.000	1	110.7100	0.000	1	110.8760	0.056	4	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	110.8410	0.000	1	110.8410	0.000	1	109.5000	1.479	3	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H){1|H<1>,3|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO){2|C<4>,5|H<1>}	108.4690	0.000	1	108.4690	0.000	1	109.5000	1.479	3	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.1900	0.000	1	109.1900	0.000	1	109.5000	1.479	3	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|H<1>,1|O<2>,2|C<4>}	110.5000	0.000	1	110.5000	0.000	1	110.7352	0.168	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<4>,1|O<2>,2|H<1>}	111.1570	0.198	2	111.1570	0.039	2	110.7352	0.168	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H){4|H<1>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){4|H<1>}	110.2980	0.000	1	110.2980	0.000	1	110.7352	0.168	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	O(C[5]C[5]O[5]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|C<3>,2|H<1>}	110.5640	0.000	1	110.5640	0.000	1	110.7352	0.168	5	111.0355	1.875	41	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:N-3:	C[3x5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H)	O(C[5]C[5]O[5]H)(NCH)	O[5](C[3x5]C[5,5,6,6]C[5,5,6]C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(NCH)	O[5](C[3x5]C[5,5,6,6]C[5,5,6]C[5])(C[5]C[5]HO){2|O<2>,4|C<4>,4|H<1>}	111.6130	0.000	1	111.6130	0.000	1	111.6130	0.000	1	108.5325	18.979	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:N-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H)	O(C[5]C[5]O[5]H)(NC[6a]C)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H){4|H<1>}	O(C[5]C[5]O[5]H)(NC[6a]C)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,3|H<1>}	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	108.5325	18.979	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]HO)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	110.2870	14.418	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	3:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	N[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](N[5]C[6a]C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](N[5]C[6a]C[5])(C[5]C[5]HO){3|C<3>,3|H<1>}	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	110.2870	14.418	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]HO)(N[5]C[5]2)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]HO)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.2570	0.000	1	113.2570	0.000	1	112.4480	0.492	3	112.4480	0.492	3	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]HO)(N[5]C[5]C){1|C<3>,3|H<1>}	112.0435	0.049	2	112.0435	0.002	2	112.4480	0.492	3	112.4480	0.492	3	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H)	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H){1|O<2>,2|C<4>}	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO){1|O<2>,2|H<1>,3|C<4>}	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.6520	0.143	2	112.6520	0.020	2	112.3067	0.368	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO){2|H<1>,3|C<4>}	111.6160	0.000	1	111.6160	0.000	1	112.3067	0.368	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CCHH)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CCHH)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	113.2365	0.213	2	113.2365	0.045	2	112.0684	0.684	14	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	111.9030	0.000	1	111.9030	0.000	1	112.0684	0.684	14	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO){1|C<4>,3|H<1>,3|O<2>}	111.6510	0.096	2	111.6510	0.009	2	112.0684	0.684	14	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	111.8198	1.006	6	111.8198	1.011	6	112.0684	0.684	14	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO){2|C<4>,2|O<2>,3|H<1>}	111.8980	0.074	2	111.8980	0.005	2	112.0684	0.684	14	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO){1|C<4>,3|H<1>,3|O<2>}	112.5650	0.000	1	112.5650	0.000	1	112.0684	0.684	14	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:Si-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H)	O(C[5]C[5,5]O[5]H)(SiC3)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(SiC3)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO){1|C<3>,3|C<4>,3|H<1>}	110.5370	0.000	1	110.5370	0.000	1	110.9688	0.192	4	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|O<1>,2|H<1>,3|C<4>}	111.3185	0.268	2	111.3185	0.072	2	110.9688	0.192	4	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H){2|C<4>,5|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	110.7010	0.000	1	110.7010	0.000	1	110.9688	0.192	4	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CCHH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(CCHH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	112.4330	0.000	2	112.4330	0.000	2	111.6430	0.381	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	112.2710	0.000	1	112.2710	0.000	1	111.6430	0.381	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	111.8650	0.246	2	111.8650	0.061	2	111.6430	0.381	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	111.5415	0.172	2	111.5415	0.030	2	111.6430	0.381	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<4>,2|H<1>}	111.0307	0.389	4	111.0307	0.151	4	111.6430	0.381	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	B[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO){1|C<4>,1|H<1>,4|C<3>}	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|C<4>,1|S<4>,3|H<1>}	112.2755	0.965	2	112.2755	0.932	2	111.9853	0.718	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|N<3>,1|S<4>,3|H<1>}	111.4050	0.000	1	111.4050	0.000	1	111.9853	0.718	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CC[6]HH)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HO)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	O(C[5]C[5]O[5]H)(CC[6]HH)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|N<3>,2|C<4>,2|H<1>}	111.6970	0.000	1	111.6970	0.000	1	112.0310	0.140	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){2|C<4>,5|H<1>}	111.7520	0.000	1	111.7520	0.000	1	112.0310	0.140	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|Br<1>,3|C<4>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	112.4810	0.000	1	112.4810	0.000	1	112.0310	0.140	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){2|C<4>,3|H<1>}	112.1125	0.394	2	112.1125	0.155	2	112.0310	0.140	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	O(C[5]C[5]O[5]H)(CC3)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	O(C[5]C[5]O[5]H)(CC3)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO){4|C<4>,5|H<1>}	111.3890	0.065	2	111.3890	0.004	2	111.1827	0.130	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO){4|C<4>,5|H<1>}	110.7700	0.000	1	110.7700	0.000	1	111.1827	0.130	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO){1|O<2>,2|C<4>,2|H<1>}	108.3130	0.000	1	108.3130	0.000	1	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	111.7280	0.000	1	112.2970	0.648	2	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|H<1>,3|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){3|C<4>,4|H<1>}	112.8660	0.000	1	112.2970	0.648	2	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.2400	0.000	1	111.7935	0.399	2	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.3470	0.000	1	111.7935	0.399	2	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	111.4870	0.000	1	111.4870	0.000	1	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){1|O<2>,1|S<2>,5|H<1>}	110.2105	0.822	2	110.9808	1.037	4	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|O<2>,5|H<1>}	111.7510	0.246	2	110.9808	1.037	4	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO){1|C<3>,2|C<4>,7|H<1>}	113.0070	0.000	1	113.0070	0.000	1	111.3555	1.888	11	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|C<4>,2|C<3>,3|H<1>}	112.0390	0.000	1	112.0390	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	110.4910	0.673	3	110.4910	0.452	3	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)2	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)2{1|C<4>,1|H<1>,2|O<2>}	112.1400	0.000	1	112.1400	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	111.5505	4.347	2	111.5505	18.893	2	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){2|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){4|C<3>,4|H<1>}	111.2490	0.000	1	111.2490	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CC[5]HH)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CC[5]HH)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,3|H<1>}	110.8680	0.000	1	110.8680	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	112.1380	0.000	1	112.1380	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	111.1120	0.000	1	111.1120	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	111.1620	1.187	2	111.1620	1.408	2	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	111.7190	0.000	1	111.7190	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]HH)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	111.4700	0.000	1	111.4700	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CC)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CC)(C[5]C[5]HO){1|O<1>,1|O<2>,2|H<1>}	112.6320	0.000	1	112.6320	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	112.5684	0.887	8	112.4544	0.806	9	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<3>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<3>}	111.5430	0.000	1	112.4544	0.806	9	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]HO)2{1|C<4>,1|H<1>,2|O<2>}	112.4740	0.000	1	112.4740	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|Se<4>,1|O<2>,2|H<1>}	114.2440	0.000	1	114.2440	0.000	1	111.8916	1.789	27	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:	C[3x5]-4:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	O(C[5]C[5]O[5]H)2	O[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HO)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	O(C[5]C[5]O[5]H)2	O[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HO){1|C<3>,3|C<4>,4|H<1>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H)	O(C[5]C[5]O[5]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H){2|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){2|C<4>,2|H<1>,4|C<3>}	111.5490	0.127	2	111.5490	0.016	2	111.6173	0.022	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	111.7540	0.000	1	111.7540	0.000	1	111.6173	0.022	3	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	112.6350	0.000	1	112.6350	0.000	1	110.7312	1.746	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	111.5500	0.000	1	111.5500	0.000	1	110.7312	1.746	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.7225	0.394	2	109.7225	0.155	2	110.7312	1.746	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|H<1>}	110.0260	0.000	1	110.0260	0.000	1	110.7312	1.746	5	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H)	O(C[5]C[5]O[5]H)(SiC3)	O[5](C[5,6]C[3,6]2C[5])(C[5]C[5]HO)	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(SiC3)	O[5](C[5,6]C[3,6]2C[5])(C[5]C[5]HO){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	111.6277	1.263	95	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:2:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	O(C[5]C[5,5]O[5]O)(CCHH)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,5]O[5]O)(CCHH)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO){2|C<4>,2|H<1>}	107.5610	0.000	1	107.5610	0.000	1	110.0135	12.030	2	110.1983	5.739	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:2:	4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	O(C[5]C[5,5]O[5]O)(CH3)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,5]O[5]O)(CH3)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO){2|C<4>,2|H<1>}	112.4660	0.000	1	112.4660	0.000	1	110.0135	12.030	2	110.1983	5.739	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:2:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:O-2:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2	O(C[5]C[5]O[5]O)(CH3)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]OO)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2{2|C<3>,2|H<1>}	O(C[5]C[5]O[5]O)(CH3)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]OO){3|C<3>,5|H<1>}	110.3830	2.247	2	110.3830	5.050	2	110.3830	5.050	2	110.1983	5.739	4	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:4:	4:4:	4:4:	C[5]-4:O-2:O[5]-2:C-4:	C[5,3x6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO)	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO){1|H<1>,3|C<4>}	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,3|H<1>}	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.4899	0.845	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:4:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	O[5](C[5]C[5]CO)(C[5]C[5]HH){2|H<1>,2|O<2>}	110.5530	0.000	1	110.5530	0.000	1	111.4419	0.863	12	111.4899	0.845	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:4:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|I<1>,1|O<2>,2|H<1>}	111.4430	0.000	1	111.5227	0.863	11	111.4419	0.863	12	111.4899	0.845	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:4:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	111.5307	0.979	10	111.5227	0.863	11	111.4419	0.863	12	111.4899	0.845	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:2:4:	4:4:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[6]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH)	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO){1|C<4>,2|O<2>,4|H<1>}	112.5860	0.000	1	112.5860	0.000	1	112.5860	0.000	1	111.4899	0.845	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:3:2:	4:1:	4:3:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(N[5]C[5]H)	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH){1|C<3>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(N[5]C[5]H){1|C<3>,3|H<1>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:3:2:	4:1:	4:4:	C[5,6]-4:O[5]-2:C-3:O-2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.8285	0.074	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:3:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH){1|C<4>,3|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,3|H<1>}	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	109.8285	0.074	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:3:2:	4:4:	4:4:	C[5,5]-4:O[5]-2:C-3:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC)	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5]C[5,5]O[5]C)(CH3)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH){1|C<4>,1|O<2>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	112.6580	0.215	2	112.6580	0.046	2	112.6580	0.046	2	112.6580	0.046	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH)	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.9490	0.000	1	109.9490	0.000	1	109.7685	0.065	2	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH)	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.5880	0.000	1	109.5880	0.000	1	109.7685	0.065	2	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH)	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO){1|H<1>,2|C<3>,4|C<4>}	109.5355	1.900	2	109.5355	3.610	2	109.1155	2.789	6	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH)	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH){1|H<1>,1|O<1>,4|C<4>}	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|C<4>,2|H<1>}	107.4350	0.000	1	107.4350	0.000	1	109.1155	2.789	6	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH)	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH){1|C<4>,1|H<1>,2|O<2>}	111.5380	0.000	1	111.5380	0.000	1	109.1155	2.789	6	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH)	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH){1|H<1>,4|C<4>}	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<4>,1|H<1>,2|O<2>}	108.4640	0.000	1	108.4640	0.000	1	109.1155	2.789	6	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH)	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[5]C[5,5]O[5]C)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|N<3>,2|H<1>}	108.1850	0.000	1	108.1850	0.000	1	109.1155	2.789	6	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO){4|C<4>,6|H<1>}	109.6905	0.408	2	109.6905	0.166	2	109.6905	0.166	2	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	O(C[5]C[5,6]O[5]C)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO){2|C<4>,2|H<1>}	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH){1|C<4>,1|N<3>,2|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO){2|C<4>,2|H<1>,4|C<3>}	108.0370	0.000	1	108.0370	0.000	1	110.0246	3.191	5	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO){1|C<4>,2|H<1>,2|O<2>}	112.0990	0.000	1	112.0990	0.000	1	110.0246	3.191	5	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CO){2|H<1>,6|C<3>}	110.5820	0.000	1	110.5820	0.000	1	110.0246	3.191	5	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.1150	0.000	1	111.1150	0.000	1	110.0246	3.191	5	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.2900	0.000	1	108.2900	0.000	1	110.0246	3.191	5	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.1375	1.479	2	108.1375	2.186	2	108.1375	2.186	2	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|O<1>,2|C<4>}	107.8420	0.000	1	107.8420	0.000	1	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|C<3>,2|H<1>}	109.0670	0.000	1	109.0670	0.000	1	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH){1|O<1>,2|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>}	111.7750	0.000	1	111.7750	0.000	1	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH){1|C<4>,3|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	107.7140	0.322	3	107.7140	0.104	3	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	109.6130	0.571	5	109.6130	0.327	5	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]2C)(C[5]C[5]CO){1|C<4>,1|O<2>,5|H<1>}	106.7420	0.000	1	109.1300	4.350	3	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]2C)(C[5]C[5]CO){2|C<4>,5|H<1>}	110.3240	0.383	2	109.1300	4.350	3	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH){2|C<3>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	110.5120	0.000	1	110.5120	0.000	1	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	111.1150	0.000	1	111.1150	0.000	1	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	108.7250	0.000	1	108.7250	0.000	1	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	O(C[5]C[5]O[5]C)(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.1180	0.000	1	111.1180	0.000	1	109.3751	2.055	18	109.3982	2.005	36	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:2:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:	C[5]-4:O[5]-2:	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO)	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO){1|O<1>}	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>}	110.6190	0.157	2	110.6190	0.025	2	110.3826	0.145	5	110.3826	0.145	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:2:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO)	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO){2|C<4>}	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5]){2|C<4>,2|H<1>}	110.5880	0.000	1	110.5880	0.000	1	110.3826	0.145	5	110.3826	0.145	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:2:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO)	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO){1|C<4>,1|O<2>}	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	110.0435	0.415	2	110.0435	0.172	2	110.3826	0.145	5	110.3826	0.145	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:2:	4:4:	C[3,5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO)	O(C[5]C[3,5]O[5]C)(OH)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO){1|O<2>,2|C<3>}	O(C[5]C[3,5]O[5]C)(OH)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO){1|O<2>,4|C<3>}	110.6380	0.000	1	110.6380	0.000	1	110.6380	0.000	1	110.7266	0.128	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:2:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO)	O(C[5]C[5]O[5]C)(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO){2|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO){1|O<2>,4|H<1>,5|C<4>}	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.7266	0.128	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:2:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO)	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>}	110.9070	0.317	3	110.9070	0.101	3	110.9070	0.101	3	110.7266	0.128	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC)	O(C[5]C[5,6]O[5]C)(CH3)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]O[5]C)(CH3)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO){1|C<4>,1|H<1>,2|C<3>}	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.7810	0.000	1	109.7810	0.000	1	109.0280	0.275	4	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.7770	0.185	3	108.7770	0.034	3	109.0280	0.275	4	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC)	O(C[5]C[5]O[5]C)(CC[6a]CH)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC){4|H<1>}	O(C[5]C[5]O[5]C)(CC[6a]CH)	O[5](C[5]C[5]CO)(C[5]C[5]HH){4|H<1>}	112.1400	0.000	1	112.1400	0.000	1	111.3872	0.308	4	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	111.2480	0.307	2	111.1363	0.084	3	111.3872	0.308	4	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){2|C<3>,2|H<1>,2|O<2>}	110.9130	0.000	1	111.1363	0.084	3	111.3872	0.308	4	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	110.8290	0.000	1	110.8290	0.000	1	110.1316	11.573	5	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:2:4:2:	4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	109.9573	3.902	4	109.9573	15.228	4	110.1316	11.573	5	110.1631	4.556	14	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	O(C[5]C[3,5]C[6a]O[5])(H)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[3,5]C[6a]O[5])(H)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO){1|O<2>,4|C<3>}	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	109.2747	3.475	12	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	O(C[5]C[3]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	O(C[5]C[3]C[5]O[5])(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	109.9915	0.960	4	109.9915	0.922	4	109.9915	0.922	4	109.2747	3.475	12	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	O(C[5]C[3]C[5]O[5])(H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	O(C[5]C[3]C[5]O[5])(H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	106.4747	0.696	3	106.4747	0.485	3	106.4747	0.485	3	109.2747	3.475	12	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	O(C[5]C[5,6,6]C[6a]O[5])(H)	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	O(C[5]C[5,6,6]C[6a]O[5])(H)	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O){2|C<3>,2|F<1>,2|H<1>,3|C<4>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.2747	3.475	12	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	O(C[5]C[5,6]C[6a]O[5])(H)	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	O(C[5]C[5,6]C[6a]O[5])(H)	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O){2|H<1>,8|C<3>}	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	109.2747	3.475	12	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:1:	4:4:	C[5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	O(C[5]C[6a]C[5]O[5])(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){2|Br<1>,2|C<3>,2|H<1>}	110.5620	0.259	2	110.5620	0.067	2	110.5620	0.067	2	109.2747	3.475	12	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	O(C[5]C[5,5]C[6a]O[5])(CH3)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O(C[5]C[5,5]C[6a]O[5])(CH3)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O){1|C<4>,1|H<1>,6|C<3>}	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	111.0490	1.528	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	O(C[5]C[5]2O[5])(CH3)	O[5](C[5]C[5]2O)(C[5]C[5]HO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2O[5])(CH3)	O[5](C[5]C[5]2O)(C[5]C[5]HO){1|C<4>,1|O<2>,3|H<1>}	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	111.0490	1.528	2	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH)	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]O[5])(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH){1|C<3>,2|H<1>,4|C<4>}	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	108.8780	0.686	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH)	O(C[5]C[5]2O[5])(H)	O[5](C[5]C[5]2O)(C[5]C[5]CH)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH){4|C<4>,4|H<1>}	O(C[5]C[5]2O[5])(H)	O[5](C[5]C[5]2O)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.0030	0.000	1	108.0030	0.000	1	109.0048	0.807	4	108.8780	0.686	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH)	O(C[5]C[5]2O[5])(H)	O[5](C[5]C[5]2O)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	O(C[5]C[5]2O[5])(H)	O[5](C[5]C[5]2O)(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	109.3025	1.037	2	109.3025	1.076	2	109.0048	0.807	4	108.8780	0.686	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH)	O(C[5]C[5]2O[5])(H)	O[5](C[5]C[5]2O)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	O(C[5]C[5]2O[5])(H)	O[5](C[5]C[5]2O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	109.4110	0.000	1	109.4110	0.000	1	109.0048	0.807	4	108.8780	0.686	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:2:	4:2:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:O-2:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO)	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO){2|C<4>}	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(O[5]C[5]){2|C<4>,2|H<1>}	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:2:	4:4:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO)	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(OH)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>}	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[3]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC)	O(C[5]C[3]C[5]O[5])(CCHH)	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC){3|C<4>,3|H<1>}	O(C[5]C[3]C[5]O[5])(CCHH)	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	109.6190	3.746	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	O(C[5]C[5,5]2O[5])(SiC3)	O[5](C[5]C[5,5]2O)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]2O[5])(SiC3)	O[5](C[5]C[5,5]2O)(C[5]C[5,5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	108.9475	0.243	2	108.9475	0.059	2	108.3337	1.160	3	109.6190	3.746	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	O(C[5]C[5,5]2O[5])(SiC3)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]2O)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	O(C[5]C[5,5]2O[5])(SiC3)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]2O){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	107.1060	0.000	1	107.1060	0.000	1	108.3337	1.160	3	109.6190	3.746	5	110.8211	2.725	303	110.4936	2.862	482
474	893	976	0:SP3_SP3_SP3	C[5]	O	O[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	111.9180	0.000	1	111.9180	0.000	1	111.9180	0.000	1	109.6190	3.746	5	110.8211	2.725	303	110.4936	2.862	482
474	893	983	0:SP3_SP1_SP2	C[5]	O	C	3:3:2:2:	4:3:	4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C(C[5]C[5,6a]C[5]O)(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C(C[5]C[5,6a]C[5]O)(N)	103.9690	0.000	1	103.9690	0.000	1	103.9690	0.000	1	103.9690	0.000	1	108.5764	7.349	5	108.5764	7.349	5
474	893	983	0:SP3_SP1_SP2	C[5]	O	C	4:3:2:2:	4:3:	4:2:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:C-3:	C[5]-4:C-2:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC)	O(C[5]C[5]2C)(CC[6a]O)	C(C[5]C[5]2O)(CH)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC){2|H<1>}	O(C[5]C[5]2C)(CC[6a]O)	C(C[5]C[5]2O)(CH)	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	108.5764	7.349	5	108.5764	7.349	5
474	893	983	0:SP3_SP1_SP2	C[5]	O	C	4:4:2:2:	4:3:	4:1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC)	O(C[5]C[5]2C)(COO)	C(C[5]C[5]2O)(N)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC){2|H<1>}	O(C[5]C[5]2C)(COO)	C(C[5]C[5]2O)(N)	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	108.5764	7.349	5	108.5764	7.349	5
474	893	983	0:SP3_SP1_SP2	C[5]	O	C	4:4:2:2:	4:3:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:C-3:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	O(C[5]C[5,6]C[5]C)(CCO)	C(C[5]C[5,6]C[5]O)(CC[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	C(C[5]C[5,6]C[5]O)(CC[6a])	108.4560	0.000	1	108.4560	0.000	1	109.0110	0.616	2	109.0110	0.616	2	108.5764	7.349	5	108.5764	7.349	5
474	893	983	0:SP3_SP1_SP2	C[5]	O	C	4:4:2:2:	4:3:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:C-3:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	O(C[5]C[5,6]C[5]C)(CCO)	C(C[5]C[5,6]C[5]O)(CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	C(C[5]C[5,6]C[5]O)(CH)	109.5660	0.000	1	109.5660	0.000	1	109.0110	0.616	2	109.0110	0.616	2	108.5764	7.349	5	108.5764	7.349	5
474	893	983	0:SP3_SP1_SP3	C[5,6]	O	C	4:4:2:2:	4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:N-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH){1|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(N)	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	107.4031	0.351	15	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5,6]	O	C	4:4:2:2:	4:1:	4:2:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,6]-4:H-1:	C[5,6]-4:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(CC[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH){3|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(CC[6a])	107.2973	0.445	14	107.2973	0.198	14	107.2973	0.198	14	107.2973	0.198	14	107.4031	0.351	15	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:2:2:2:	4:4:	4:1:	C[5,6a]-3:O[5]-2:C-2:O-2:	C[5]-4:C-4:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CN)(OC)	O(C[5]C[5,6a]O[5]C)(CCHH)	C(C[5]C[5,6a]O[5]O)(N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CN)(OC){1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5,6a]O[5]C)(CCHH)	C(C[5]C[5,6a]O[5]O)(N)	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:2:2:2:	4:4:	4:2:	C[5]-3:O[5]-2:C-2:O-2:	C[5]-4:C-4:	C[5]-4:C-2:	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC)	O(C[5]C[5]O[5]C)(CH3)	C(C[5]C[5]O[5]O)(CC[6a])	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC){1|C<3>,1|H<1>}	O(C[5]C[5]O[5]C)(CH3)	C(C[5]C[5]O[5]O)(CC[6a])	114.0040	0.000	1	114.0040	0.000	1	114.0040	0.000	1	114.0040	0.000	1	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:1:	4:2:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(CC)(OH)	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CSi)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(CC)(OH){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CSi)	105.9650	0.000	1	105.9650	0.000	1	108.8258	3.890	54	109.0652	4.817	57	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:1:	4:2:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH)	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH){2|H<1>,4|C<3>}	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CC[5])	108.5070	2.017	41	108.5070	4.067	41	108.8258	3.890	54	109.0652	4.817	57	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:1:	4:2:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH)	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH){2|H<1>,4|C<3>}	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CC[6a])	109.1495	1.145	4	109.1495	1.310	4	108.8258	3.890	54	109.0652	4.817	57	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:1:	4:2:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH)	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CH)	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH){2|H<1>,4|C<3>}	O(C[5]C[5,6a]2C)(H)	C(C[5]C[5,6a]2O)(CH)	110.6554	0.066	8	110.6554	0.004	8	108.8258	3.890	54	109.0652	4.817	57	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:1:	4:2:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH)	O(C[5]C[5,6a]C[5]C)(H)	C(C[5]C[5,6a]C[5]O)(CC)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	C(C[5]C[5,6a]C[5]O)(CC)	111.8100	0.000	1	111.8100	0.000	1	112.6190	1.309	2	109.0652	4.817	57	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:1:	4:2:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH)	O(C[5]C[5,6a]C[5]C)(H)	C(C[5]C[5,6a]C[5]O)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	C(C[5]C[5,6a]C[5]O)(CC[6a])	113.4280	0.000	1	113.4280	0.000	1	112.6190	1.309	2	109.0652	4.817	57	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:1:	4:2:	C[5]-3:C[5]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CC[6a])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CC[6a])	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	109.0652	4.817	57	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	3:3:2:2:	4:2:	4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:O-2:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO)	O(C[5]C[5,6a]C[5]C)(OC)	C(C[5]C[5,6a]C[5]O)(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO){1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]C)(OC)	C(C[5]C[5,6a]C[5]O)(N)	111.2240	0.042	2	111.2240	0.002	2	111.2240	0.002	2	111.2240	0.002	2	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:3:2:2:	4:1:	4:2:	C[5,5]-4:C[5]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH)	O(C[5]C[5,5]C[5]C)(H)	C(C[5]C[5,5]C[5]O)(CC)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH){1|C<3>,3|C<4>,5|H<1>}	O(C[5]C[5,5]C[5]C)(H)	C(C[5]C[5,5]C[5]O)(CC)	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	108.4428	9.451	4	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:3:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC[6a])	109.8700	0.000	1	109.8700	0.000	1	108.5580	3.443	2	108.4428	9.451	4	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:3:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CH)	107.2460	0.000	1	107.2460	0.000	1	108.5580	3.443	2	108.4428	9.451	4	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:3:2:2:	4:1:	4:2:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH)	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CH)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH){2|H<1>}	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CH)	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	108.4428	9.451	4	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[3,5]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH)	O(C[5]C[3,5]C[5]C)(H)	C(C[5]C[3,5]C[5]O)(CH)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH){1|N<3>,4|H<1>}	O(C[5]C[3,5]C[5]C)(H)	C(C[5]C[3,5]C[5]O)(CH)	106.7385	0.091	2	106.7385	0.008	2	106.7385	0.008	2	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CAu)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CAu)	110.7690	0.952	2	110.7690	0.906	2	109.0290	1.294	56	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC)	110.0030	0.000	1	108.5930	0.965	4	109.0290	1.294	56	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC)	108.1230	0.349	3	108.5930	0.965	4	109.0290	1.294	56	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC[5])	108.9083	0.830	3	108.9083	0.688	3	109.0290	1.294	56	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CC[6a])	109.0108	1.272	25	109.0108	1.619	25	109.0290	1.294	56	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CH)	108.7510	0.000	1	108.9872	0.963	22	109.0290	1.294	56	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	C(C[5]C[5,6]C[5]O)(CH)	108.9984	1.004	21	108.9872	0.963	22	109.0290	1.294	56	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH)	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CH)	107.5700	0.000	1	107.5700	0.000	1	110.0066	1.144	30	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5]C[5]HH)2(CC)(OH)	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CAu)	C[5](C[5]C[5]HH)2(CC)(OH){4|H<1>}	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CAu)	110.6030	0.000	1	110.6030	0.000	1	110.0066	1.144	30	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5]C[5]HH)2(CC)(OH)	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CC)	C[5](C[5]C[5]HH)2(CC)(OH){4|H<1>}	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CC)	110.0333	0.992	27	110.0333	0.985	27	110.0066	1.144	30	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:1:	4:2:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CH)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	O(C[5]C[5]2C)(H)	C(C[5]C[5]2O)(CH)	111.1270	0.000	1	111.1270	0.000	1	110.0066	1.144	30	109.3102	1.569	88	109.2722	3.104	154	109.1063	3.140	169
474	893	983	0:SP3_SP1_SP3	C[5]	O	C	4:4:2:2:	4:4:	4:2:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:C-4:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	O(C[5]C[5,6]C[5]C)(CH3)	C(C[5]C[5,6]C[5]O)(CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(CH3)	C(C[5]C[5,6]C[5]O)(CH)	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	109.2722	3.104	154	109.1063	3.140	169
474	893	992	0:SP3_SP2_SP3	C[5]	O	P	4:2:4:2:	4:3:	4:2:2:1:	C[5]-4:O[5]-2:P-4:O-2:	C[5]-4:C-3:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC)	O(C[5]C[5]O[5]P)(CCO)	P(C[5]C[5]O[5]O)(OC)2(O)	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC){1|C<3>}	O(C[5]C[5]O[5]P)(CCO)	P(C[5]C[5]O[5]O)(OC)2(O)	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1
474	893	999	0:SP3_SP3_SP3	C[5]	O	N[5]	3:4:2:1:	4:1:	3:4:4:4:	C[5,6a]-3:N[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H)	O(C[5]C[5,6a]N[5]H)(H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H){1|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5]H)(H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	111.1350	0.274	2	111.1350	0.075	2	111.1350	0.075	2	111.1350	0.075	2	109.5500	5.277	4	109.5500	5.277	4
474	893	999	0:SP3_SP3_SP3	C[5]	O	N[5]	4:4:3:2:	4:1:	4:2:4:4:	C[5]-4:N[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	O(C[5]C[5]N[5]C)(H)	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.5500	5.277	4	109.5500	5.277	4
474	893	999	0:SP3_SP3_SP3	C[5]	O	N[5]	4:4:4:2:	4:1:	4:4:1:1:	C[3,5]-4:N[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH)	O(C[5]C[3,5]N[5]C)(H)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[3,5]N[5]C)(H)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	109.5500	5.277	4	109.5500	5.277	4
474	897	951	0:SP3_SP-NON_SP3	C[5]	O[4,5]	H	3:4:1:1:	5:5:4:	4:	O[4,5]-3:C[5]-4:H-1:H-1:	Ga[4,5]-5:Ga[4,5]-5:C[5]-4:	C[5]-4:	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2	O[4,5](Ga[4,5]O[4,5]N[5]Cl2)2(C[5]C[5]HH)	H(C[5]O[4,5]C[5]H)	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2{4|Cl<1>,1|N<4>,1|O<3>,2|C<4>}	O[4,5](Ga[4,5]O[4,5]N[5]Cl2)2(C[5]C[5]HH){2|H<1>,6|C<4>}	H(C[5]O[4,5]C[5]H)	110.4115	0.021	2	110.4115	0.000	2	110.4115	0.000	2	109.7236	0.196	8	109.7236	0.196	8	109.7236	0.196	8
474	897	951	0:SP3_SP-NON_SP3	C[5]	O[4,5]	H	3:4:1:1:	5:5:4:	4:	O[4,5]-3:C[5]-4:H-1:H-1:	In[4,4,5]-5:In[4,4]-5:C[5]-4:	C[5]-4:	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2	O[4,5](In[4,4,5]O[4,5]C[6a]O[4]2)(In[4,4]O[4,5]C[6a]O[4]2)(C[5]C[5]HH)	H(C[5]O[4,5]C[5]H)	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2{1|In<5>,1|O<3>,2|C<3>,3|O<2>}	O[4,5](In[4,4,5]O[4,5]C[6a]O[4]2)(In[4,4]O[4,5]C[6a]O[4]2)(C[5]C[5]HH){2|In<5>,1|C<4>,2|H<1>,4|C<3>}	H(C[5]O[4,5]C[5]H)	109.4943	0.150	6	109.4943	0.022	6	109.4943	0.022	6	109.7236	0.196	8	109.7236	0.196	8	109.7236	0.196	8
474	899	899	0:SP3_SP-NON_SP-NON	C[5]	C	C	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:C-1:C-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]C)(C)2	C(C[5]C[5]2C)	C(C[5]C[5]2C)	C[5](C[5]C[5]CH)(C[5]O[5]C)(C)2{1|O<1>}	C(C[5]C[5]2C)	C(C[5]C[5]2C)	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	110.9095	6.676	4	110.9095	6.676	4	110.9095	6.676	4
474	899	899	0:SP3_SP-NON_SP-NON	C[5]	C	C	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:C-1:C-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5]O)(C)2	C(C[5]C[5]N[5]C)	C(C[5]C[5]N[5]C)	C[5](C[5]N[5]CC)(N[5]C[5]O)(C)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)	C(C[5]C[5]N[5]C)	112.0347	1.555	3	112.0347	2.418	3	112.0347	2.418	3	110.9095	6.676	4	110.9095	6.676	4	110.9095	6.676	4
474	904	955	6:SP3_SP-NON_SP3	C[5,3x6]	P[6,6]	P[5,6,6]	3:4:2:4:	4:3:	4:4:1:1:	P[3,5,6,6]-3:P[5,6,6]-4:P[6,6]-2:C-4:	C[5,3x6]-4:C[6,6]-3:	C[4,5,6,6]-4:C[5,3x6]-4:Cl-1:O-1:	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3)	P[6,6](C[5,3x6]P[3,5,6,6]P[5,6,6]C)(C[6,6]P[4,3x6]C)	P[5,6,6](C[4,5,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[3,5,6,6]P[6,6]C)(Cl)(O)	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3){1|P<3>,3|C<4>}	P[6,6](C[5,3x6]P[3,5,6,6]P[5,6,6]C)(C[6,6]P[4,3x6]C){1|Cl<1>,1|O<1>,1|P<3>,2|C<4>}	P[5,6,6](C[4,5,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[3,5,6,6]P[6,6]C)(Cl)(O){1|C<3>,1|C<4>}	103.1800	0.000	1	103.1800	0.000	1	103.1800	0.000	1	103.1800	0.000	1	103.1800	0.000	1	103.1800	0.000	1
474	908	951	0:SP3_SP-NON_SP2	C[5,6]	Se	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:Se-3:H-1:	C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H)	Se(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]Se)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H){2|H<1>,4|C<4>}	Se(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]Se)	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1
474	909	909	0:SP3_SP2_SP2	C[5]	S	S	3:3:2:2:	4:3:	4:3:	C[5,6a]-3:C[5]-3:S-2:S-2:	C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])2	S(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)	S(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])2{2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)	S(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)	101.5410	0.000	1	101.5410	0.000	1	101.5410	0.000	1	101.5410	0.000	1	108.6750	101.788	2	108.6750	101.788	2
474	909	909	0:SP3_SP2_SP2	C[5]	S	S	4:3:2:2:	3:4:	3:4:	C[5]-4:C[5]-3:S-2:S-2:	C[6a]-3:C[5]-4:	C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2	S(C[6a]C[6a]2)(C[5]C[5]2S)	S(C[6a]C[6a]2)(C[5]C[5]2S)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2{2|C<3>}	S(C[6a]C[6a]2)(C[5]C[5]2S)	S(C[6a]C[6a]2)(C[5]C[5]2S)	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	108.6750	101.788	2	108.6750	101.788	2
474	909	909	0:SP3_SP2_SP3	C[5]	S	S	4:3:2:2:	3:4:	4:4:	C[5]-4:C[5]-3:S-2:S-2:	C[6a]-3:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC)	S(C[6a]C[6a]2)(C[5]C[5]2S)	S(C[5]C[5]2S)(CF3)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC){2|C<3>}	S(C[6a]C[6a]2)(C[5]C[5]2S)	S(C[5]C[5]2S)(CF3)	115.6055	0.351	2	115.6055	0.124	2	115.6055	0.124	2	115.6055	0.124	2	115.6055	0.124	2	115.6055	0.124	2
474	909	930	0:SP3_SP2_SP2	C[5]	S	C	3:3:2:3:	4:3:	4:2:1:	C[5,6a]-3:C[5]-3:S-2:C-3:	C[5]-4:C[6a]-3:	C[5]-4:C-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH)	S(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)	C(C[5]C[5,6a]C[5]S)(CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH){1|C<4>,1|H<1>,2|C<3>}	S(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)	C(C[5]C[5,6a]C[5]S)(CC)(H)	104.5300	0.000	1	104.5300	0.000	1	104.5300	0.000	1	104.5300	0.000	1	108.5125	14.406	6	108.5125	14.406	6
474	909	930	0:SP3_SP2_SP2	C[5]	S	C	3:3:3:2:	4:2:	4:2:1:	C[5]-3:C[5]-3:C-3:S-2:	C[5]-4:S-2:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS)	S(C[5]C[5]2C)(SC[6a])	C(C[5]C[5]2S)(OC)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	S(C[5]C[5]2C)(SC[6a])	C(C[5]C[5]2S)(OC)(O)	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	108.5125	14.406	6	108.5125	14.406	6
474	909	930	0:SP3_SP2_SP2	C[5]	S	C	4:3:2:3:	3:4:	4:2:1:	C[5]-4:C[5]-3:S-2:C-3:	C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO)	S(C[6a]C[6a]2)(C[5]C[5]2C)	C(C[5]C[5]2S)(OC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO){2|C<3>}	S(C[6a]C[6a]2)(C[5]C[5]2C)	C(C[5]C[5]2S)(OC)(O)	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	108.5125	14.406	6	108.5125	14.406	6
474	909	930	0:SP3_SP2_SP2	C[5]	S	C	4:3:3:2:	4:2:	4:2:1:	C[5]-4:C[5]-3:C-3:S-2:	C[5]-4:S-2:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS)	S(C[5]C[5]2C)(SC[6a])	C(C[5]C[5]2S)(OC[3x6])(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	S(C[5]C[5]2C)(SC[6a])	C(C[5]C[5]2S)(OC[3x6])(O)	108.8720	1.167	2	108.8720	1.361	2	108.8720	1.361	2	108.8720	1.361	2	108.5125	14.406	6	108.5125	14.406	6
474	909	930	0:SP3_SP2_SP2	C[5]	S	C	4:4:2:3:	3:4:	4:3:1:	C[5]-4:C[5]-4:S-2:C-3:	C[6a]-3:C[5]-4:	C[5]-4:N-3:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO)	S(C[6a]C[6a]2)(C[5]C[5]2C)	C(C[5]C[5]2S)(NCH)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO){1|C<4>,1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(C[5]C[5]2C)	C(C[5]C[5]2S)(NCH)(O)	114.5340	0.000	1	114.5340	0.000	1	114.5340	0.000	1	114.5340	0.000	1	108.5125	14.406	6	108.5125	14.406	6
474	909	930	0:SP3_SP2_SP3	C[5]	S	C	3:4:3:2:	4:4:	4:2:1:	C[5]-3:C[5]-4:C-3:S-2:	C[5]-4:C-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(COO)(SC)	S(C[5]C[5]2C)(CF3)	C(C[5]C[5]2S)(OC)(O)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(COO)(SC){2|C<4>,2|H<1>}	S(C[5]C[5]2C)(CF3)	C(C[5]C[5]2S)(OC)(O)	108.9430	0.683	2	108.9430	0.467	2	108.9430	0.467	2	108.9430	0.467	2	110.1290	4.114	5	110.1290	4.114	5
474	909	930	0:SP3_SP2_SP3	C[5]	S	C	4:3:3:2:	4:2:	4:2:1:	C[5]-4:C[5]-3:C-3:S-2:	C[5]-4:S-2:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS)	S(C[5]C[5]2C)(SC[6a])	C(C[5]C[5]2S)(OC[3x6])(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	S(C[5]C[5]2C)(SC[6a])	C(C[5]C[5]2S)(OC[3x6])(O)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	110.1290	4.114	5	110.1290	4.114	5
474	909	930	0:SP3_SP2_SP3	C[5]	S	C	4:4:3:2:	4:4:	4:2:1:	C[5]-4:C[5]-4:C-3:S-2:	C[5]-4:C-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC)	S(C[5]C[5]2C)(CC3)	C(C[5]C[5]2S)(OC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC){1|C<3>,1|C<4>,1|H<1>}	S(C[5]C[5]2C)(CC3)	C(C[5]C[5]2S)(OC)(O)	112.2220	0.000	1	112.2915	0.010	2	112.2915	0.010	2	112.2915	0.010	2	110.1290	4.114	5	110.1290	4.114	5
474	909	930	0:SP3_SP2_SP3	C[5]	S	C	4:4:3:2:	4:4:	4:2:1:	C[5]-4:C[5]-4:C-3:S-2:	C[5]-4:C-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC)	S(C[5]C[5]2C)(CC3)	C(C[5]C[5]2S)(OC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)(SC){1|C<3>,1|H<1>,1|S<4>}	S(C[5]C[5]2C)(CC3)	C(C[5]C[5]2S)(OC)(O)	112.3610	0.000	1	112.2915	0.010	2	112.2915	0.010	2	112.2915	0.010	2	110.1290	4.114	5	110.1290	4.114	5
474	909	951	0:SP3_SP-NON_SP2	C[5,6]	S	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	S(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	S(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]2S)	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	110.3270	4.002	6	110.3270	4.002	6	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5,6]	S	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(CCO)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(SC)(H){3|C<4>,3|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(CCO)	H(C[5,6]C[5,5,6]C[5,6]S)	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	110.3270	4.002	6	110.3270	4.002	6	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5,6]	S	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H)	S(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H){1|H<1>,2|C<3>}	S(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]S)	111.4880	0.000	1	111.4880	0.000	1	111.4730	0.000	2	110.3270	4.002	6	110.3270	4.002	6	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5,6]	S	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H)	S(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H){2|C<4>,2|F<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6]S)	111.4580	0.000	1	111.4580	0.000	1	111.4730	0.000	2	110.3270	4.002	6	110.3270	4.002	6	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5,6]	S	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H)	S(C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6,6]S)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	S(C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6,6]S)	107.6300	0.000	1	107.6300	0.000	1	109.5245	7.178	2	110.3270	4.002	6	110.3270	4.002	6	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5,6]	S	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	S(C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6,6]S)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,2|C<4>,2|F<1>}	S(C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]C[5,6,6]S)	111.4190	0.000	1	111.4190	0.000	1	109.5245	7.178	2	110.3270	4.002	6	110.3270	4.002	6	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	3:3:2:1:	4:3:	4:	C[5,5a]-3:C[5,6a]-3:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H)	S(C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]2)	H(C[5]C[5,5a]C[5,6a]S)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H){1|H<1>,4|C<3>}	S(C[5]C[5,5a]C[5,6a]H)(C[6a]C[6a]2)	H(C[5]C[5,5a]C[5,6a]S)	110.5065	0.009	4	110.5065	0.000	4	110.5065	0.000	4	110.5065	0.000	4	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H)	S(C[5]C[5,6a]C[5]H)(COS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H){1|H<1>,1|O<1>,2|C<3>}	S(C[5]C[5,6a]C[5]H)(COS)	H(C[5]C[5,6a]C[5]S)	103.1750	0.000	1	103.1750	0.000	1	103.1750	0.000	1	107.3682	6.657	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H)	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5]S)	107.8003	0.217	3	107.8003	0.047	3	108.4165	1.550	4	107.3682	6.657	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H)	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[5]S)	110.2650	0.000	1	110.2650	0.000	1	108.4165	1.550	4	107.3682	6.657	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:2:2:1:	4:3:	4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[3,5]O[5]S)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[3,5]O[5]S)	110.3270	0.146	2	110.3270	0.021	2	110.3270	0.021	2	109.1205	1.193	6	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:2:2:1:	4:3:	4:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H)	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H){1|H<1>,1|O<2>,2|C<4>}	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]S)	107.9200	0.000	1	107.9200	0.000	1	108.5173	0.526	4	109.1205	1.193	6	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:2:2:1:	4:3:	4:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]S)	109.1250	0.315	2	109.1250	0.099	2	108.5173	0.526	4	109.1205	1.193	6	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:2:2:1:	4:3:	4:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H)	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]S)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H){1|O<1>,2|C<3>,2|H<1>}	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]S)	107.8990	0.000	1	107.8990	0.000	1	108.5173	0.526	4	109.1205	1.193	6	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	3:4:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H){1|H<1>,2|C<4>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	109.8320	0.000	1	109.8320	0.000	1	108.9280	1.680	10	108.9280	1.680	10	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	3:4:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]N)(SC[6a])(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	110.4630	0.000	1	110.4630	0.000	1	108.9280	1.680	10	108.9280	1.680	10	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	3:4:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(H){2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	106.5440	0.000	1	106.5440	0.000	1	108.9280	1.680	10	108.9280	1.680	10	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	3:4:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	108.7918	0.406	4	108.9201	1.044	7	108.9280	1.680	10	108.9280	1.680	10	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	3:4:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	109.0913	1.676	3	108.9201	1.044	7	108.9280	1.680	10	108.9280	1.680	10	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	4:3:	4:	C[5,5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H)	S(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	S(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,5]C[5]S)	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	109.5404	1.082	7	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	4:3:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H)	S(C[5]C[5]2H)(CNN)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H){1|C<3>,2|H<1>}	S(C[5]C[5]2H)(CNN)	H(C[5]C[5]2S)	110.5010	1.769	2	110.5010	3.130	2	110.5010	3.130	2	109.5404	1.082	7	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	4:3:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H)	S(C[5]C[5]N[5]H)(CNS)	H(C[5]C[5]N[5]S)	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H){2|C<4>}	S(C[5]C[5]N[5]H)(CNS)	H(C[5]C[5]N[5]S)	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	109.5404	1.082	7	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	4:3:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H)	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)	H(C[5]C[5]N[5]S)	C[5](C[5]N[5]HH)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)	H(C[5]C[5]N[5]S)	108.9470	0.000	1	108.9470	0.000	1	109.3960	0.155	3	109.5404	1.082	7	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:3:2:1:	4:3:	4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H)	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)	H(C[5]C[5]N[5]S)	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	S(C[5]C[5]N[5]H)(C[6a]C[6a]2)	H(C[5]C[5]N[5]S)	109.6205	0.087	2	109.6205	0.008	2	109.3960	0.155	3	109.5404	1.082	7	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	3:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SC[6a])(H){1|C<3>,1|H<1>,1|S<4>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	110.1430	0.000	1	110.1430	0.000	1	109.2514	2.795	5	109.2514	2.795	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	3:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H)	S(C[6a]N[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H){1|O<1>}	S(C[6a]N[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	111.4430	0.000	1	111.4430	0.000	1	109.2514	2.795	5	109.2514	2.795	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	3:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a])(H){1|S<4>,3|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	109.3160	0.000	1	109.3160	0.000	1	109.2514	2.795	5	109.2514	2.795	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	3:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[6a])(H)	S(C[6a]N[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[6a])(H){4|H<1>}	S(C[6a]N[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	108.2350	0.000	1	108.2350	0.000	1	109.2514	2.795	5	109.2514	2.795	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	3:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H){1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2S)	107.1200	0.000	1	107.1200	0.000	1	109.2514	2.795	5	109.2514	2.795	5	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H)	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6]C[5]S)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H){1|C<3>,2|C<4>,6|H<1>}	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6]C[5]S)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	112.5090	21.171	3	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)2(SC)(H)	S(C[5]C[5]2H)(CCS)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC)(H){4|H<1>}	S(C[5]C[5]2H)(CCS)	H(C[5]C[5]2S)	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	112.5090	21.171	3	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP2	C[5]	S	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H)	S(C[5]C[5]2H)(C[5]C[5]2)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(SC[5])(H){1|C<3>,3|H<1>}	S(C[5]C[5]2H)(C[5]C[5]2)	H(C[5]C[5]2S)	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	112.5090	21.171	3	109.3359	4.232	40	109.4652	4.226	46
474	909	951	0:SP3_SP-NON_SP3	C[5,6]	S	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H)	S(C[5,6]C[5,5,6]2H)(CFFH)	H(C[5,6]C[5,5,6]2S)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	S(C[5,6]C[5,5,6]2H)(CFFH)	H(C[5,6]C[5,5,6]2S)	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	107.3050	3.533	4	107.3050	3.533	4	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5,6]	S	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<3>,4|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[5,6]S)	107.8490	0.000	1	107.8880	0.003	2	106.7830	3.665	3	107.3050	3.533	4	107.3050	3.533	4	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5,6]	S	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(SC)(H){1|C<4>,5|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[5,6]S)	107.9270	0.000	1	107.8880	0.003	2	106.7830	3.665	3	107.3050	3.533	4	107.3050	3.533	4	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5,6]	S	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC)(H){1|C<3>,1|C<4>,4|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(CH3)	H(C[5,6]C[5,5,6]C[5,6]S)	104.5730	0.000	1	104.5730	0.000	1	106.7830	3.665	3	107.3050	3.533	4	107.3050	3.533	4	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	3:2:2:1:	4:4:	4:	C[5]-3:O[5]-2:S-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H)	S(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[5]C[5]O[5]S)	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H){1|H<1>,1|O<1>}	S(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[5]C[5]O[5]S)	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	3:3:2:1:	4:2:	4:	N[5]-3:N[5]-3:S-2:H-1:	C[5]-4:S-2:	C[5]-4:	C[5](N[5]C[6a]C[5])2(SS)(H)	S(C[5]N[5]2H)(SC[5])	H(C[5]N[5]2S)	C[5](N[5]C[6a]C[5])2(SS)(H){2|O<1>,4|C<3>}	S(C[5]N[5]2H)(SC[5])	H(C[5]N[5]2S)	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	3:3:2:1:	4:4:	4:	C[5,6a]-3:C[5]-3:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H)	S(C[5]C[5,6a]C[5]H)(CC[6a]HH)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H){1|S<2>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5]H)(CC[6a]HH)	H(C[5]C[5,6a]C[5]S)	110.6705	1.682	2	110.6705	2.830	2	110.6705	2.830	2	108.5555	1.944	13	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	3:3:2:1:	4:4:	4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	S(C[5]C[5,6a]N[5]H)(CCCH)	H(C[5]C[5,6a]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	S(C[5]C[5,6a]N[5]H)(CCCH)	H(C[5]C[5,6a]N[5]S)	107.7060	0.000	1	107.7060	0.000	1	107.9602	0.560	10	108.5555	1.944	13	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	3:3:2:1:	4:4:	4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	S(C[5]C[5,6a]N[5]H)(CCHH)	H(C[5]C[5,6a]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	S(C[5]C[5,6a]N[5]H)(CCHH)	H(C[5]C[5,6a]N[5]S)	107.9884	0.788	9	107.9884	0.621	9	107.9602	0.560	10	108.5555	1.944	13	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	3:3:2:1:	4:4:	4:	C[5,6a]-3:S[5]-3:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(SC)(H)	S(C[5]C[5,6a]S[5]H)(CH3)	H(C[5]C[5,6a]S[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(SC)(H){2|C<3>,3|H<1>}	S(C[5]C[5,6a]S[5]H)(CH3)	H(C[5]C[5,6a]S[5]S)	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	108.5555	1.944	13	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:2:2:1:	4:4:	4:	C[5,5]-4:O[5]-2:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H)	S(C[5]C[5,5]O[5]H)(CCHH)	H(C[5]C[5,5]O[5]S)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H){1|O<2>,2|C<4>,4|H<1>}	S(C[5]C[5,5]O[5]H)(CCHH)	H(C[5]C[5,5]O[5]S)	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:3:2:1:	4:1:	4:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H)	S(C[5]C[5]2H)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H){1|C<3>,1|O<1>}	S(C[5]C[5]2H)(H)	H(C[5]C[5]2S)	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H)	S(C[5]C[5]2H)(H)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SH)(H){1|H<1>,1|N<3>}	S(C[5]C[5]2H)(H)	H(C[5]C[5]2S)	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:2:	4:	C[5,5]-4:C[5]-4:S-2:H-1:	C[5]-4:S-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H)	S(C[5]C[5,5]C[5]H)(SC[5])	H(C[5]C[5,5]C[5]S)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(SS)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[5]C[5,5]C[5]H)(SC[5])	H(C[5]C[5,5]C[5]S)	111.4705	0.542	2	111.4705	0.294	2	111.4705	0.294	2	110.7130	0.869	4	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:2:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:S-2:	C[5]-4:	C[5](C[5]N[5,5]HH)2(SS)(H)	S(C[5]C[5]2H)(SC[5])	H(C[5]C[5]2S)	C[5](C[5]N[5,5]HH)2(SS)(H){2|C<3>}	S(C[5]C[5]2H)(SC[5])	H(C[5]C[5]2S)	109.9555	0.138	2	109.9555	0.019	2	109.9555	0.019	2	110.7130	0.869	4	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5]-4:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H)	S(C[5]C[5,5,6]C[5]H)(CCHH)	H(C[5]C[5,5,6]C[5]S)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	S(C[5]C[5,5,6]C[5]H)(CCHH)	H(C[5]C[5,5,6]C[5]S)	102.2170	0.000	1	102.2170	0.000	1	102.2170	0.000	1	107.9827	9.914	6	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H)	S(C[5]C[5,6,6]C[5]H)2	H(C[5]C[5,6,6]C[5]S)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	S(C[5]C[5,6,6]C[5]H)2	H(C[5]C[5,6,6]C[5]S)	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	107.9827	9.914	6	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H)	S(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H){1|O<1>,2|H<1>}	S(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2S)	108.3880	0.000	1	108.3880	0.000	1	108.9537	3.006	4	107.9827	9.914	6	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H)	S(C[5]C[5]2H)(CCHH)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SC)(H){1|H<1>,1|N<3>}	S(C[5]C[5]2H)(CCHH)	H(C[5]C[5]2S)	109.6570	0.000	1	109.6570	0.000	1	108.9537	3.006	4	107.9827	9.914	6	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H)	S(C[5]C[5]2H)(CF3)	H(C[5]C[5]2S)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H){1|S<4>,2|C<3>,2|H<1>}	S(C[5]C[5]2H)(CF3)	H(C[5]C[5]2S)	106.8610	0.000	1	106.8610	0.000	1	108.9537	3.006	4	107.9827	9.914	6	108.8299	3.685	28	108.6393	3.814	32
474	909	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H)	S(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H){1|O<1>,2|C<3>}	S(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2S)	110.9090	0.000	1	110.9090	0.000	1	108.9537	3.006	4	107.9827	9.914	6	108.8299	3.685	28	108.6393	3.814	32
474	909	956	0:SP3_SP2_SP2	C[5]	S	N	3:3:2:3:	4:3:	4:3:3:	C[5,6a]-3:C[5]-3:S-2:N-3:	C[5]-4:C[6a]-3:	C[5]-4:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN)	S(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN){2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	106.2690	0.000	2	106.2690	0.000	2	106.2690	0.000	2	106.2690	0.000	2	106.2690	0.000	2	106.2690	0.000	2
474	909	960	0:SP3_SP2_SP2	C[5]	S	N[5]	3:3:2:2:	4:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:S-2:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a])	S(C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a]){1|O<1>,3|H<1>,4|C<3>}	S(C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]O){4|C<3>}	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1
474	909	960	0:SP3_SP2_SP3	C[5]	S	N[5]	3:4:2:2:	4:4:	3:4:	C[5]-3:C-4:N[5]-2:S-2:	C[5]-4:C-4:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC)	S(C[5]C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[6a]O[5])(C[5]C[5]CS)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC){1|C<3>}	S(C[5]C[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[6a]O[5])(C[5]C[5]CS){1|O<1>,2|C<3>}	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1
474	909	976	0:SP3_SP2_SP2	C[5]	S	O[5]	4:2:2:1:	4:3:	4:3:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H)	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5]HS)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H){1|O<1>,2|C<3>,2|H<1>}	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5]HS)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1
474	909	976	0:SP3_SP2_SP3	C[5,5,6]	S	O[5,5]	3:4:2:2:	4:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:S-2:	C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a])	S(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]S)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a]){2|H<1>,4|C<3>}	S(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]S){3|H<1>,5|C<3>}	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	112.3314	1.177	9
474	909	976	0:SP3_SP2_SP3	C[5]	S	O[5]	3:2:2:1:	4:4:	4:3:	C[5]-3:O[5]-2:S-2:H-1:	C[5]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H)	S(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HS)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(SC[6])(H){1|H<1>,1|O<1>}	S(C[5]C[5]O[5]H)(C[6]C[6]2H)	O[5](C[5]C[5]HS)(C[5]C[5]O){1|C<2>,1|H<1>}	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	112.1855	1.126	8	112.3314	1.177	9
474	909	976	0:SP3_SP2_SP3	C[5]	S	O[5]	3:2:2:4:	4:3:	4:4:	C[5]-3:O[5]-2:S-2:C-4:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3)	S(C[5]C[5]O[5]C)(C[6a]C[6a]2)	O[5](C[5]C[5]CS)(C[5]O[5]CH)	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3){1|C<4>,1|H<1>}	S(C[5]C[5]O[5]C)(C[6a]C[6a]2)	O[5](C[5]C[5]CS)(C[5]O[5]CH){1|O<1>}	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	112.1855	1.126	8	112.3314	1.177	9
474	909	976	0:SP3_SP2_SP3	C[5]	S	O[5]	4:2:2:1:	4:3:	4:4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS){1|O<2>,2|H<1>}	112.7340	0.000	1	112.7340	0.000	1	112.7865	0.006	2	112.8824	0.023	5	112.1855	1.126	8	112.3314	1.177	9
474	909	976	0:SP3_SP2_SP3	C[5]	S	O[5]	4:2:2:1:	4:3:	4:4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS){1|C<4>,2|O<2>,3|H<1>}	112.8390	0.000	1	112.8390	0.000	1	112.7865	0.006	2	112.8824	0.023	5	112.1855	1.126	8	112.3314	1.177	9
474	909	976	0:SP3_SP2_SP3	C[5]	S	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H)	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H){1|H<1>,1|O<2>,2|C<4>}	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.8824	0.023	5	112.1855	1.126	8	112.3314	1.177	9
474	909	976	0:SP3_SP2_SP3	C[5]	S	O[5]	4:2:2:1:	4:3:	4:4:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	S(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	112.9900	0.214	2	112.9900	0.046	2	112.9900	0.046	2	112.8824	0.023	5	112.1855	1.126	8	112.3314	1.177	9
474	909	976	0:SP3_SP2_SP3	C[5]	S	O[5]	4:2:4:2:	4:4:	4:2:	C[5]-4:O[5]-2:C-4:S-2:	C[5]-4:C-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC)	S(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CS)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC){1|C<3>}	S(C[5]C[5]O[5]C)(CH3)	O[5](C[5]C[5]CS)(N[5]C[5]){1|C<3>,2|H<1>}	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	112.1855	1.126	8	112.3314	1.177	9
474	909	976	0:SP3_SP3_SP3	C[5,6]	S	O[5,6]	4:2:4:2:	4:4:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:S-2:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC)	S(C[5,6]O[5,6]C[5]C[6])(CCHH)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]S)	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC){3|C<4>,3|H<1>}	S(C[5,6]O[5,6]C[5]C[6])(CCHH)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]S){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	110.7295	4.521	2
474	909	976	0:SP3_SP3_SP3	C[5]	S	O[5]	4:2:2:1:	4:4:	4:4:	C[5,5]-4:O[5]-2:S-2:H-1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H)	S(C[5]C[5,5]O[5]H)(CCHH)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H){1|O<2>,2|C<4>,4|H<1>}	S(C[5]C[5,5]O[5]H)(CCHH)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS){1|C<3>,2|C<4>,2|H<1>}	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	110.7295	4.521	2
474	914	930	0:SP3_SP2_SP2	C[5,6]	N[6]	C	3:4:2:3:	4:2:	4:2:1:	N[5,6]-3:C[5]-4:N[6]-2:C-3:	C[5,6]-4:N[6]-2:	C[5,6]-4:O-2:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO)	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])	C(C[5,6]N[5,6]C[5]N[6])(OC)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO){1|C<3>,2|H<1>,3|O<1>}	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C(C[5,6]N[5,6]C[5]N[6])(OC)(O)	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1
474	914	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:4:2:1:	4:3:	4:	C[5,6]-3:C[5]-4:N[6]-2:H-1:	C[5,6]-4:N[5,6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H)	N[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H){1|C<3>,1|C<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	109.4367	2.844	9	109.4367	2.844	9
474	914	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:2:3:1:	4:3:	4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[5,6]N[5,6]S[5])	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6](C[5,6]C[5,6]N[5]H)(C[5,6]N[5,6]S[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.7567	0.377	4	110.7567	0.142	4	110.7567	0.142	4	110.7567	0.142	4	109.4367	2.844	9	109.4367	2.844	9
474	914	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:2:1:	4:3:	4:	C[5,5]-4:C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]S)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]N[6])	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	108.3822	3.260	4	109.4367	2.844	9	109.4367	2.844	9
474	914	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	106.9600	0.000	1	106.9600	0.000	1	108.4353	4.872	3	108.3822	3.260	4	109.4367	2.844	9	109.4367	2.844	9
474	914	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]S)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]S){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.3730	0.000	1	107.3730	0.000	1	108.4353	4.872	3	108.3822	3.260	4	109.4367	2.844	9	109.4367	2.844	9
474	914	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	110.9730	0.000	1	110.9730	0.000	1	108.4353	4.872	3	108.3822	3.260	4	109.4367	2.844	9	109.4367	2.844	9
474	914	956	0:SP3_SP2_SP2	C[5,6]	N[6]	N	4:2:2:3:	4:3:	4:4:4:	C[5]-4:O[5,6]-2:N[6]-2:N-3:	C[5,6]-4:C[6]-3:	C[5,6]-4:C-4:S-4:	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS)	N[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]C)	N(C[5,6]O[5,6]C[5]N[6])(CC[6a]HH)(SC[6a]OO)	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS){1|C<3>,1|S<2>,3|C<4>}	N[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(C[5,6]O[5,6]C[5]N[6])(CC[6a]HH)(SC[6a]OO)	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1
474	914	976	0:SP3_SP2_SP2	C[5,6]	N[6]	O[5]	4:3:2:2:	4:3:	4:2:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1
474	914	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:3:2:2:	4:3:	4:4:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N)	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	105.6160	0.025	2	105.6160	0.001	2	105.6160	0.001	2	105.6160	0.001	2	105.6160	0.001	2	105.6160	0.001	2
474	914	976	6:SP3_SP2_SP3	C[5,6]	N[6]	O[5,6]	4:2:2:3:	4:3:	4:4:	C[5]-4:O[5,6]-2:N[6]-2:N-3:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS)	N[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]C)	O[5,6](C[5,6]C[5]N[6]N)(C[5,6]C[6]O[5]C)	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS){1|C<3>,1|S<2>,3|C<4>}	N[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]N[6]N)(C[5,6]C[6]O[5]C){2|C<3>,3|H<1>}	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1
474	916	951	0:SP3_SP-NON_SP3	C[5,5]	O[3x5]	H	3:4:4:1:	4:4:4:	4:	O[3x5]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	O[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	H(C[5,5]O[3x5]C[5]2)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	O[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){12|H<1>}	H(C[5,5]O[3x5]C[5]2)	102.6505	0.989	2	102.6505	0.979	2	102.6505	0.979	2	102.6505	0.979	2	102.6505	0.979	2	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5,5]	H	3:4:1:1:	9:4:4:	4:	O[5,5]-3:C[5]-4:H-1:H-1:	Nb[5x3,5,5]-9:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	O[5,5](Nb[5x3,5,5]C[3,3,5]5S[5]2O)(C[5]C[5]HH)2	H(C[5]O[5,5]C[5]H)	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,6|C<4>}	O[5,5](Nb[5x3,5,5]C[3,3,5]5S[5]2O)(C[5]C[5]HH)2{1|C<4>,8|H<1>}	H(C[5]O[5,5]C[5]H)	110.2372	0.103	6	110.2372	0.011	6	110.2372	0.011	6	110.2372	0.011	6	110.2372	0.011	6	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:O[5]-3:H-1:H-1:	B[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]B[5]C)(H)2	O[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]B[5]C)(H)2{3|C<3>}	O[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH){1|H<1>,5|C<3>}	H(C[5]C[5]O[5]H)	111.1770	0.027	2	111.1770	0.001	2	111.1770	0.001	2	111.1770	0.001	2	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:3:1:1:	6:4:4:	4:	O[5]-3:C[5]-3:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C[5]-4:	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2	O[5](Nb[5]O[5]Br3O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2{3|Br<1>,1|O<2>}	O[5](Nb[5]O[5]Br3O)(C[5]C[5]HH)(CH3){1|O<2>}	H(C[5]C[5]O[5]H)	110.3095	0.077	2	110.3095	0.006	2	110.3297	0.004	3	110.3297	0.004	3	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:3:1:1:	6:4:4:	4:	O[5]-3:C[5]-3:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C[5]-4:	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2	O[5](Nb[5]O[5]Cl3O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2{3|Cl<1>,1|O<2>}	O[5](Nb[5]O[5]Cl3O)(C[5]C[5]HH)(CH3){1|O<2>}	H(C[5]C[5]O[5]H)	110.3700	0.000	1	110.3700	0.000	1	110.3297	0.004	3	110.3297	0.004	3	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	3:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	Ge[6]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2	O[5](Ge[6]N[5,6]2)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	O[5](Ge[6]N[5,6]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	110.9275	0.068	4	110.9275	0.005	4	110.9275	0.005	4	110.9275	0.005	4	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	4:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	B[3x6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2	O[5](B[3x6]C[6,6]3)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	O[5](B[3x6]C[6,6]3)(C[5]C[5]HH)2{10|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	106.8697	1.316	8	106.8697	1.731	8	106.8697	1.731	8	109.4290	3.886	25	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	4:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	B[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2	O[5](B[5]C[5,6a]2C[6a])(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	O[5](B[5]C[5,6a]2C[6a])(C[5]C[5]HH)2{4|H<1>,6|C<3>}	H(C[5]C[5]O[5]H)	110.9699	0.031	8	110.9699	0.001	8	110.9699	0.001	8	109.4290	3.886	25	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	4:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	Ga[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2	O[5](Ga[5]N[5]2N[6])(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2{3|N<3>,4|H<1>}	O[5](Ga[5]N[5]2N[6])(C[5]C[5]HH)2{4|H<1>,6|C<3>}	H(C[5]C[5]O[5]H)	110.8937	0.073	3	110.8937	0.005	3	110.8937	0.005	3	109.4290	3.886	25	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	4:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	Ga[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN)	H(C[5]C[5]O[5]H)	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<4>}	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN){2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	109.6115	0.074	2	109.6115	0.006	2	109.6115	0.006	2	109.4290	3.886	25	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	4:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	O[5](In[6]C[6,6a]2Br)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Br<1>,2|C<3>,4|H<1>}	O[5](In[6]C[6,6a]2Br)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.2757	0.351	4	110.2757	0.123	4	110.2757	0.123	4	109.4290	3.886	25	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	5:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[6]-5:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	O[5](In[6]C[6,6a]2O[5]Cl)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|O<3>,2|C<3>,4|H<1>}	O[5](In[6]C[6,6a]2O[5]Cl)(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.5289	0.976	8	110.5289	0.953	8	110.5289	0.953	8	110.5969	0.579	13	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	5:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	Nb[6]-5:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2	O[5](Nb[6]N[6]2O[5]N)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<3>,2|N<3>,4|H<1>}	O[5](Nb[6]N[6]2O[5]N)(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.7058	0.213	5	110.7058	0.045	5	110.7058	0.045	5	110.5969	0.579	13	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	B[3x3,3x5,12x6]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	O[5](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|B<6>,4|H<1>}	O[5](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(C[5]C[5]HH)2{2|C<6>,3|B<6>,8|H<1>}	H(C[5]C[5]O[5]H)	111.1770	0.377	4	111.1717	0.081	12	111.1426	0.076	20	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	B[3x3,3x5,12x6]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	O[5](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<8>,4|B<6>,4|H<1>}	O[5](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(C[5]C[5]HH)2{1|C<6>,4|B<6>,8|H<1>}	H(C[5]C[5]O[5]H)	111.1690	0.257	8	111.1717	0.081	12	111.1426	0.076	20	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	B[3x3,3x5,12x6]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	O[5](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Mo<9>,4|B<6>,4|H<1>}	O[5](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(C[5]C[5]HH)2{1|C<6>,4|B<6>,8|H<1>}	H(C[5]C[5]O[5]H)	111.0990	0.275	8	111.0990	0.076	8	111.1426	0.076	20	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[4,5,5]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2	O[5](In[4,5,5]O[4,5]2O[5]3)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2{2|O<2>,3|O<3>,4|H<1>}	O[5](In[4,5,5]O[4,5]2O[5]3)(C[5]C[5]HH)2{1|In<4>,2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.7865	0.160	4	110.7865	0.026	4	110.7865	0.026	4	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[5,6,6]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2	O[5](In[5,6,6]N[5,6]2O[6]2Cl)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<3>,2|O<2>,4|H<1>}	O[5](In[5,6,6]N[5,6]2O[6]2Cl)(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.6797	0.282	4	110.6797	0.079	4	110.6797	0.079	4	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[5]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	O[5](In[5]N[5,6]N[5]Cl3)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	O[5](In[5]N[5,6]N[5]Cl3)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.6155	0.106	4	110.6155	0.011	4	110.6875	0.028	16	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[5]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	O[5](In[5]N[5]2Cl3)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	O[5](In[5]N[5]2Cl3)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.6093	0.283	4	110.6093	0.080	4	110.6875	0.028	16	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[5]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	O[5](In[5]O[5]2S[5]Cl2)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{2|Cl<1>,1|O<2>,1|O<3>,1|S<2>,4|H<1>}	O[5](In[5]O[5]2S[5]Cl2)(C[5]C[5]HH)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	110.7626	0.086	8	110.7626	0.007	8	110.6875	0.028	16	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	In[6]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	O[5](In[6]N[6,6]2Cl3)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	O[5](In[6]N[6,6]2Cl3)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.9213	0.314	4	110.9213	0.099	4	110.9213	0.099	4	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	6:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	Si[4x6]-6:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2{1|O<3>,4|H<1>,4|N<3>}	O[5](Si[4x6]N[5a,6,6]4O[5])(C[5]C[5]HH)2{2|C<4>,4|H<1>,8|C<3>}	H(C[5]C[5]O[5]H)	111.0070	0.056	4	111.0070	0.003	4	111.0070	0.003	4	110.9121	0.091	52	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	7:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	Nb[3,3]-7:C[5]-4:C[5]-4:	C[5]-4:	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2	O[5](Nb[3,3]Nb[3,3]O[5]S[3]2Cl2)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2{1|Nb<7>,2|Cl<1>,1|O<3>,2|S<2>,4|H<1>}	O[5](Nb[3,3]Nb[3,3]O[5]S[3]2Cl2)(C[5]C[5]HH)2{2|Cl<1>,2|C<4>,2|O<3>,4|H<1>}	H(C[5]C[5]O[5]H)	110.1486	0.669	8	110.1486	0.448	8	110.1486	0.448	8	110.1486	0.448	8	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	3:4:1:1:	8:4:4:	4:	O[5]-3:C[5]-4:H-1:H-1:	Nb[5,5]-8:C[5]-4:C-4:	C[5]-4:	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2	O[5](Nb[5,5]O[5]3F4)(C[5]C[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2{1|C<4>,2|O<3>,4|F<1>}	O[5](Nb[5,5]O[5]3F4)(C[5]C[5]HH)(CH3){2|H<1>,5|C<4>}	H(C[5]C[5]O[5]H)	110.3275	0.249	8	110.3275	0.062	8	110.3275	0.062	8	110.3275	0.062	8	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:B-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	O[5](C[5]C[5]HH)2(BCCO)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(BCCO){4|H<1>}	H(C[5]C[5]O[5]H)	111.1730	0.023	3	111.1730	0.001	3	108.1601	8.835	22	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:B-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	O[5](C[5]C[5]HH)2(BC[6a]2Cl)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(BC[6a]2Cl){4|H<1>}	H(C[5]C[5]O[5]H)	105.5500	1.136	4	105.5500	1.291	4	108.1601	8.835	22	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:B-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	O[5](C[5]C[5]HH)2(BC[6a]3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(BC[6a]3){4|H<1>}	H(C[5]C[5]O[5]H)	108.1194	3.365	7	108.1194	11.323	7	108.1601	8.835	22	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:B-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	O[5](C[5]C[5]HH)2(BHHN)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(BHHN){4|H<1>}	H(C[5]C[5]O[5]H)	110.6805	0.122	4	110.6805	0.015	4	108.1601	8.835	22	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:B-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	O[5](C[5]C[5]HH)2(BO3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(BO3){4|H<1>}	H(C[5]C[5]O[5]H)	106.0615	2.321	4	106.0615	5.386	4	108.1601	8.835	22	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaBCC)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaBCC){4|H<1>}	H(C[5]C[5]O[5]H)	110.4723	0.047	4	110.4723	0.002	4	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaB[5a]Br2)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaB[5a]Br2){4|H<1>}	H(C[5]C[5]O[5]H)	110.8320	0.366	3	110.8320	0.134	3	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaB[5a]CC)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaB[5a]CC){4|H<1>}	H(C[5]C[5]O[5]H)	110.7742	0.158	4	110.7742	0.025	4	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaB[5a]Cl2)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaB[5a]Cl2){4|H<1>}	H(C[5]C[5]O[5]H)	110.5708	0.116	4	110.5708	0.013	4	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaC[5]Cl2)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaC[5]Cl2){4|H<1>}	H(C[5]C[5]O[5]H)	110.8706	0.090	8	110.8706	0.008	8	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaCl3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaCl3){4|H<1>}	H(C[5]C[5]O[5]H)	110.7055	0.013	2	110.7055	0.000	2	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaI3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaI3){4|H<1>}	H(C[5]C[5]O[5]H)	110.7000	0.217	4	110.7000	0.047	4	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaO3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaO3){4|H<1>}	H(C[5]C[5]O[5]H)	110.8979	0.191	13	110.8979	0.037	13	110.7765	0.046	42	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:In-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	O[5](C[5]C[5]HH)2(InCOO)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(InCOO){4|H<1>}	H(C[5]C[5]O[5]H)	110.7015	0.123	8	110.7015	0.015	8	110.7015	0.015	8	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2	O[5](C[5]C[5]HH)2(SiC3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(SiC3){4|H<1>}	H(C[5]C[5]O[5]H)	111.1634	0.157	8	111.1634	0.025	8	111.1634	0.025	8	110.0882	3.818	80	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:5:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:Ga-5:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	O[5](C[5]C[5]HH)2(GaO[5]Br3)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(GaO[5]Br3){4|H<1>}	H(C[5]C[5]O[5]H)	107.1575	1.495	4	107.1575	2.235	4	107.1575	2.235	4	109.5629	3.792	12	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:5:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:In-5:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	O[5](C[5]C[5]HH)2(InCl3O)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(InCl3O){4|H<1>}	H(C[5]C[5]O[5]H)	110.8458	0.205	4	110.8458	0.042	4	110.7656	0.041	8	109.5629	3.792	12	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	4:4:5:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:C[5]-4:In-5:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	O[5](C[5]C[5]HH)2(InCl4)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	O[5](C[5]C[5]HH)2(InCl4){4|H<1>}	H(C[5]C[5]O[5]H)	110.6855	0.191	4	110.6855	0.037	4	110.7656	0.041	8	109.5629	3.792	12	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	5:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	In-5:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	O[5](InC[6a]O[5]II)(C[5]C[5]HH)2	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	O[5](InC[6a]O[5]II)(C[5]C[5]HH)2{4|H<1>}	H(C[5]C[5]O[5]H)	106.9045	2.961	8	106.9045	8.766	8	106.9045	8.766	8	106.9045	8.766	8	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	6:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	O[5](Nb[5]O[5]Cl2NO)(C[5]C[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<2>,1|O<2>}	O[5](Nb[5]O[5]Cl2NO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1830	0.077	8	110.1830	0.006	8	110.1297	0.121	59	110.1297	0.121	59	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	6:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	O[5](Nb[5]O[5]Cl3N)(C[5]C[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|N<2>}	O[5](Nb[5]O[5]Cl3N)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.1002	0.380	47	110.1002	0.145	47	110.1297	0.121	59	110.1297	0.121	59	110.1331	2.416	274	110.0823	2.747	282
474	916	951	0:SP3_SP-NON_SP3	C[5]	O[5]	H	4:3:1:1:	6:4:4:	4:	C[5]-4:O[5]-3:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	O[5](Nb[5]O[5]Cl3O)(C[5]C[5]HH)(CH3)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|O<2>}	O[5](Nb[5]O[5]Cl3O)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	110.3700	0.059	4	110.3700	0.004	4	110.1297	0.121	59	110.1297	0.121	59	110.1331	2.416	274	110.0823	2.747	282
474	919	951	0:SP3_SP-NON_SP3	C[5,5]	S[3,5,5]	H	3:4:1:1:	11:11:4:	4:	S[3,5,5]-3:C[5,5]-4:H-1:H-1:	Nb[8x3,5]-11:Nb[8x3,5]-11:C[5,5]-4:	C[5,5]-4:	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2	S[3,5,5](Nb[8x3,5]Nb[8x3,5]C[3,3,5]5S[3,5,5]O[3]Cl2)2(C[5,5]C[5,5]HH)	H(C[5,5]S[3,5,5]C[5,5]H)	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2{10|C<4>,4|Cl<1>,1|O<2>}	S[3,5,5](Nb[8x3,5]Nb[8x3,5]C[3,3,5]5S[3,5,5]O[3]Cl2)2(C[5,5]C[5,5]HH){10|H<1>,2|C<4>}	H(C[5,5]S[3,5,5]C[5,5]H)	108.8605	0.036	2	108.8605	0.001	2	108.8605	0.001	2	108.8605	0.001	2	108.8605	0.001	2	108.8605	0.001	2
474	921	951	0:SP3_SP-NON_SP3	C[5,6]	Se	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:Se-2:H-1:	C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H)	Se(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]2Se)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(SeC[6a])(H){1|C<3>,1|C<4>,5|H<1>}	Se(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]2Se)	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	111.1118	2.002	4
474	921	951	0:SP3_SP-NON_SP3	C[5]	Se	H	4:3:2:1:	3:4:	4:	C[5]-4:C[5]-3:Se-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SeC[6a])(H)	Se(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2Se)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SeC[6a])(H){1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2Se)	110.3535	0.422	2	110.3535	0.178	2	110.3535	0.178	2	110.3535	0.178	2	111.3017	2.786	3	111.1118	2.002	4
474	921	951	0:SP3_SP-NON_SP3	C[5]	Se	H	4:4:2:1:	3:4:	4:	C[5]-4:C[5]-4:Se-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H)	Se(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2Se)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(SeC[6a])(H){1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2Se)	113.1980	0.000	1	113.1980	0.000	1	113.1980	0.000	1	113.1980	0.000	1	111.3017	2.786	3	111.1118	2.002	4
474	921	976	0:SP3_SP3_SP3	C[5,6]	Se	O[5,6]	4:2:3:2:	4:3:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:Se-2:	C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a])	Se(C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]2)	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a]){1|O<1>,2|C<4>,4|H<1>}	Se(C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]2)	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H){1|C<3>,2|C<4>,4|H<1>}	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1
474	924	924	0:SP3_SP-NON_SP-NON	C[5,5]	Br	Br	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:Br-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(Br)2	Br(C[5,5]C[5,5,6]2Br)	Br(C[5,5]C[5,5,6]2Br)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(Br)2{1|C<3>,2|C<4>,4|H<1>}	Br(C[5,5]C[5,5,6]2Br)	Br(C[5,5]C[5,5,6]2Br)	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5,6]	Br	Br	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:Br-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2	Br(C[5,6]C[5,5,6]C[5,6]Br)	Br(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2{2|C<3>,3|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]Br)	Br(C[5,6]C[5,5,6]C[5,6]Br)	106.1540	0.000	1	106.1540	0.000	1	106.1540	0.000	1	106.1540	0.000	1	106.1540	0.000	1	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]Br)2(Br)2	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	C[5](C[5]C[5]Br)2(Br)2{2|Br<1>}	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	107.6560	0.671	10	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[6a]N[5])(Br)2	Br(C[5]C[5,5,6]C[5]Br)	Br(C[5]C[5,5,6]C[5]Br)	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[6a]N[5])(Br)2{2|H<1>,3|C<3>,3|C<4>}	Br(C[5]C[5,5,6]C[5]Br)	Br(C[5]C[5,5,6]C[5]Br)	107.0020	0.475	2	107.0020	0.226	2	107.0020	0.226	2	107.7353	0.796	4	107.6560	0.671	10	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(Br)2	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(Br)2{2|C<4>,2|H<1>}	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	108.5430	0.000	1	108.5430	0.000	1	108.4685	0.011	2	107.7353	0.796	4	107.6560	0.671	10	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2{2|C<3>}	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	108.3940	0.000	1	108.3940	0.000	1	108.4685	0.011	2	107.7353	0.796	4	107.6560	0.671	10	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2	Br(C[5]C[5,5]C[5]Br)	Br(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	Br(C[5]C[5,5]C[5]Br)	Br(C[5]C[5,5]C[5]Br)	106.1840	0.000	1	106.6185	0.378	2	106.6185	0.378	2	107.4106	0.624	5	107.6560	0.671	10	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2	Br(C[5]C[5,5]C[5]Br)	Br(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2{1|H<1>,1|O<1>,3|C<4>}	Br(C[5]C[5,5]C[5]Br)	Br(C[5]C[5,5]C[5]Br)	107.0530	0.000	1	106.6185	0.378	2	106.6185	0.378	2	107.4106	0.624	5	107.6560	0.671	10	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2{1|C<3>,2|H<1>}	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	108.0500	0.000	1	108.0500	0.000	1	107.9387	0.013	3	107.4106	0.624	5	107.6560	0.671	10	107.2691	1.488	12
474	924	924	0:SP3_SP-NON_SP-NON	C[5]	Br	Br	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2{2|C<3>,2|H<1>}	Br(C[5]C[5]2Br)	Br(C[5]C[5]2Br)	107.8830	0.088	2	107.8830	0.008	2	107.9387	0.013	3	107.4106	0.624	5	107.6560	0.671	10	107.2691	1.488	12
474	924	930	0:SP3_SP-NON_SP2	C[5]	Br	C	4:2:3:1:	4:	4:2:1:	C[5,5]-4:O[5]-2:C-3:Br-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br)	Br(C[5]C[5,5]O[5]C)	C(C[5]C[5,5]O[5]Br)(OC)(O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br){1|C<4>,1|O<2>,3|H<1>}	Br(C[5]C[5,5]O[5]C)	C(C[5]C[5,5]O[5]Br)(OC)(O)	106.1810	0.000	1	106.1810	0.000	1	106.1810	0.000	1	106.1810	0.000	1	104.5428	1.466	5	104.5428	1.466	5
474	924	930	0:SP3_SP-NON_SP2	C[5]	Br	C	4:3:3:1:	4:	4:4:1:	C[5,5]-4:C[5]-3:C-3:Br-1:	C[5]-4:	C[5]-4:C[6]-4:O-1:	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br)	Br(C[5]C[5,5]C[5]C)	C(C[5]C[5,5]C[5]Br)(C[6]C[6,6]C[6]H)(O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br){1|C<3>,1|O<2>,2|C<4>}	Br(C[5]C[5,5]C[5]C)	C(C[5]C[5,5]C[5]Br)(C[6]C[6,6]C[6]H)(O)	104.5897	0.075	3	104.5897	0.006	3	104.5897	0.006	3	104.5897	0.006	3	104.5428	1.466	5	104.5428	1.466	5
474	924	930	0:SP3_SP-NON_SP2	C[5]	Br	C	4:4:3:1:	4:	4:4:1:	C[5]-4:C[5]-4:C-3:Br-1:	C[5]-4:	C[5]-4:C-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(Br)	Br(C[5]C[5]2C)	C(C[5]C[5]2Br)(CCHH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(Br){4|H<1>}	Br(C[5]C[5]2C)	C(C[5]C[5]2Br)(CCHH)(O)	102.7640	0.000	1	102.7640	0.000	1	102.7640	0.000	1	102.7640	0.000	1	104.5428	1.466	5	104.5428	1.466	5
474	924	951	0:SP3_SP-NON_SP-NON	C[5,5]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6,6]-4:Br-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H)	Br(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]Br)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(Br)(H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	Br(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]Br)	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.5685	0.508	6	108.5685	0.508	6	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,5]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H)	Br(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2Br)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(Br)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	Br(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2Br)	108.1697	0.223	4	108.1697	0.050	4	108.5072	0.607	5	108.5685	0.508	6	108.5685	0.508	6	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,5]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H)	Br(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2Br)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H){2|Br<1>,2|C<3>,2|H<1>}	Br(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2Br)	109.8570	0.000	1	109.8570	0.000	1	108.5072	0.607	5	108.5685	0.508	6	108.5685	0.508	6	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H)	Br(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(Br)(H){1|S<4>,2|H<1>,4|C<4>}	Br(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Br)	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.9928	0.969	4	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(Br)(H){2|H<1>,4|C<4>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	108.5670	0.307	2	108.5670	0.094	2	108.5670	0.094	2	108.9928	0.969	4	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H)	Br(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]Br)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	Br(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]Br)	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	108.9928	0.969	4	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H)	Br(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]Br)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]BrH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	Br(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]Br)	111.0375	0.180	2	111.0375	0.033	2	111.0375	0.033	2	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H)	Br(C[5,6]C[4,5,6]C[5,6]H)	H(C[5,6]C[4,5,6]C[5,6]Br)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H){1|C<3>,1|H<1>,4|C<4>}	Br(C[5,6]C[4,5,6]C[5,6]H)	H(C[5,6]C[4,5,6]C[5,6]Br)	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H)	Br(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]Br)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	Br(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]Br)	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H)	Br(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Br)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(Br)(H){1|C<3>,1|C<4>,5|H<1>}	Br(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2Br)	104.6260	0.000	1	104.6260	0.000	1	104.6260	0.000	1	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,1|C<3>,3|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	109.4500	0.000	1	108.9650	4.767	3	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|C<4>,4|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	108.7225	3.030	2	108.9650	4.767	3	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<2>,1|C<4>,4|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	109.8920	0.000	1	110.0297	0.038	3	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	110.0985	0.218	2	110.0297	0.038	3	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	109.4550	0.000	1	109.4550	0.000	1	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H){2|C<3>,3|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	104.0080	0.000	1	104.0080	0.000	1	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|Br<1>,1|H<1>,2|C<3>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	108.7410	0.000	1	108.7410	0.000	1	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	110.3230	0.028	2	110.3230	0.001	2	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]BrH)(Br)(H){2|C<4>,2|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	108.4660	0.088	2	108.4660	0.008	2	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H)	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]Br)	110.7400	0.000	1	110.7400	0.000	1	109.1076	3.456	14	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H)	Br(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2Br)	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	Br(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2Br)	108.1080	0.000	1	108.1080	0.000	1	107.6810	0.365	2	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5,6]	Br	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H)	Br(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2Br)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H){1|O<2>,2|C<4>,5|H<1>}	Br(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2Br)	107.2540	0.000	1	107.2540	0.000	1	107.6810	0.365	2	108.9735	4.293	21	108.9766	3.699	25	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H)	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H){1|Br<1>,1|H<1>,4|C<3>}	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	109.2680	0.000	1	109.2680	0.000	1	109.6970	0.334	3	109.6970	0.334	3	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H)	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	109.9115	0.626	2	109.9115	0.392	2	109.6970	0.334	3	109.6970	0.334	3	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>,2|H<1>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	111.6235	0.237	2	111.9113	0.277	3	111.9113	0.277	3	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)(H){2|Br<1>,2|C<4>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	112.4870	0.000	1	111.9113	0.277	3	111.9113	0.277	3	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|C<4>,1|H<1>,6|C<3>}	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	107.9580	0.000	1	107.1708	0.557	5	109.3351	4.710	11	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|H<1>,7|C<3>}	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	106.9740	0.696	4	107.1708	0.557	5	109.3351	4.710	11	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	111.2110	0.000	1	111.4430	0.199	4	109.3351	4.710	11	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	111.5203	0.513	3	111.4430	0.199	4	109.3351	4.710	11	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H)	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H){1|C<4>,3|C<3>,3|H<1>}	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	110.5300	0.471	2	110.5300	0.222	2	109.3351	4.710	11	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	110.4923	0.488	6	110.4923	0.238	6	110.4151	0.570	8	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H)	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	111.3360	0.000	1	111.3360	0.000	1	110.4151	0.570	8	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H)	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	Br(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]Br)	109.0310	0.000	1	109.0310	0.000	1	110.4151	0.570	8	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H)	Br(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]Br)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H){2|C<3>,2|O<1>,3|H<1>}	Br(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]Br)	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	109.9874	3.316	23	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H)	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H){1|H<1>,7|C<3>}	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	107.2960	0.000	1	107.2960	0.000	1	110.2836	1.825	7	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H)	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	Br(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]Br)	110.7815	0.327	6	110.7815	0.107	6	110.2836	1.825	7	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H)	Br(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]Br)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H){5|C<4>,5|H<1>}	Br(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]Br)	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(Br)(H)	Br(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Br)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(Br)(H){1|H<1>,4|C<4>}	Br(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Br)	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,5]BrH)(C[5]C[5,5]Br)(Br)(H){1|C<3>,1|C<4>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	111.3420	0.000	1	111.3420	0.000	1	109.9583	4.271	6	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]2H)(C[5]C[5]O)(Br)(H){1|C<3>,3|C<4>,3|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	107.5220	0.000	1	107.5220	0.000	1	109.9583	4.271	6	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]C[5]O)(Br)(H){1|C<3>,1|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.6710	0.000	1	108.6710	0.000	1	109.9583	4.271	6	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.1540	0.000	1	108.1540	0.000	1	109.9583	4.271	6	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]C)(Br)(H){1|C<4>,1|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	112.0305	0.062	2	112.0305	0.004	2	109.9583	4.271	6	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H)	Br(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]Br)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]Br)	110.4545	0.334	2	110.4545	0.112	2	110.4545	0.112	2	109.8465	3.087	18	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H)	Br(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]Br)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H){2|H<1>,5|C<4>}	Br(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]Br)	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H)	Br(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]Br)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H){1|C<4>,5|H<1>}	Br(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]Br)	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H){1|C<3>,1|C<4>,1|O<2>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	109.5320	0.000	1	109.5320	0.000	1	109.2587	1.807	6	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H){1|C<4>,2|H<1>,3|C<3>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	107.5940	0.054	2	107.5940	0.003	2	109.2587	1.807	6	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(Br)(H){3|C<4>,3|H<1>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	110.4520	0.000	1	110.4520	0.000	1	109.2587	1.807	6	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H){3|C<4>,3|H<1>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	110.5480	0.000	1	110.5480	0.000	1	109.2587	1.807	6	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(Br)(H){1|N<2>,2|C<4>,4|H<1>}	Br(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]Br)	109.8320	0.000	1	109.8320	0.000	1	109.2587	1.807	6	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H)	Br(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Br)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	Br(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]Br)	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]BrH)2(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,5]BrH)2(Br)(H){2|C<4>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	111.4160	0.000	1	111.4160	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H){1|H<1>,3|C<4>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.0898	0.404	4	108.0898	0.163	4	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H){1|H<1>,2|C<4>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.9250	0.000	1	108.9250	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H){2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	107.1000	0.000	1	107.1000	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	110.5373	1.160	3	110.5373	1.345	3	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H){4|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	110.5410	0.000	1	110.5410	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	104.2360	0.000	1	104.2360	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	107.8520	0.000	1	107.8520	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)2(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]BrH)2(Br)(H){2|Br<1>,2|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	109.9506	1.411	5	109.9506	1.991	5	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(Br)(H){2|C<4>,2|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	107.3810	0.000	1	107.3810	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.4820	0.000	1	108.4820	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(Br)(H){4|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	111.3180	0.000	1	111.3180	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(Br)(H){1|C<4>,1|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	107.5370	0.000	1	107.5370	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H){1|C<3>,1|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	111.9770	0.000	1	111.9770	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H){1|O<2>,3|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.2750	0.000	1	108.2750	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	111.0590	0.000	1	111.0590	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H){4|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	109.0030	0.000	1	109.0030	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	111.0060	0.000	1	111.0060	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H){1|S<4>,2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	110.1840	0.000	1	110.1840	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.9217	0.754	3	109.0040	0.406	4	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|O<1>,2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	109.2510	0.000	1	109.0040	0.406	4	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	111.7820	0.000	1	111.7820	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	951	0:SP3_SP-NON_SP-NON	C[5]	Br	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H)	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	Br(C[5]C[5]2H)	H(C[5]C[5]2Br)	108.9990	0.000	1	108.9990	0.000	1	109.3180	2.936	34	109.4200	2.729	43	109.6678	2.864	87	109.4655	3.008	118
474	924	955	0:SP3_SP-NON_SP3	C[5]	Br	P[5]	4:3:1:1:	4:	4:4:3:1:	P[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:O-1:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H)	Br(C[5]C[5]P[5]H)	P[5](C[5]C[5]BrH)2(C[6a]C[6a]2)(O)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[5]C[5]P[5]H)	P[5](C[5]C[5]BrH)2(C[6a]C[6a]2)(O){2|C<3>,2|C<4>,2|H<1>}	110.0520	0.451	2	110.0520	0.204	2	110.0520	0.204	2	110.0520	0.204	2	110.0520	0.204	2	110.0520	0.204	2
474	924	956	0:SP3_SP-NON_SP2	C[5,6]	Br	N	4:4:3:1:	4:	4:1:1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	Br(C[5,6]C[5,5,6]C[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,4|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	102.2745	0.141	2	102.2745	0.020	2	102.3520	1.184	4	102.3520	1.184	4	102.3520	1.184	4	103.2506	3.812	7
474	924	956	0:SP3_SP-NON_SP2	C[5,6]	Br	N	4:4:3:1:	4:	4:1:1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br)	Br(C[5,6]C[5,5,6]C[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	101.1050	0.000	1	101.1050	0.000	1	102.3520	1.184	4	102.3520	1.184	4	102.3520	1.184	4	103.2506	3.812	7
474	924	956	0:SP3_SP-NON_SP2	C[5,6]	Br	N	4:4:3:1:	4:	4:1:1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(NOO)(Br)	Br(C[5,6]C[5,5,6]C[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(NOO)(Br){1|C<4>,1|O<2>,2|H<1>}	Br(C[5,6]C[5,5,6]C[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	103.7540	0.000	1	103.7540	0.000	1	102.3520	1.184	4	102.3520	1.184	4	102.3520	1.184	4	103.2506	3.812	7
474	924	956	0:SP3_SP-NON_SP2	C[5]	Br	N	4:4:3:1:	4:	4:1:1:	C[5,5]-4:C[5]-4:N-3:Br-1:	C[5]-4:	C[5]-4:O-1:O-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(Br)	Br(C[5]C[5,5]C[5]N)	N(C[5]C[5,5]C[5]Br)(O)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(Br){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	Br(C[5]C[5,5]C[5]N)	N(C[5]C[5,5]C[5]Br)(O)2	103.0495	0.186	2	103.0495	0.035	2	103.0495	0.035	2	104.4487	5.890	3	104.4487	5.890	3	103.2506	3.812	7
474	924	956	0:SP3_SP-NON_SP2	C[5]	Br	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[5]-4:N-3:Br-1:	C[5]-4:	C[5]-4:O-1:O-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br)	Br(C[5]C[5,6]C[5]N)	N(C[5]C[5,6]C[5]Br)(O)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	Br(C[5]C[5,6]C[5]N)	N(C[5]C[5,6]C[5]Br)(O)2	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	104.4487	5.890	3	104.4487	5.890	3	103.2506	3.812	7
474	924	960	0:SP3_SP-NON_SP2	C[5,6]	Br	N[5]	4:4:2:1:	4:	4:3:	C[5,5,6]-4:C[6]-4:N[5]-2:Br-1:	C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br)	Br(C[5,6]C[5,5,6]C[6]N[5])	N[5](C[5,6]C[5,5,6]C[6]Br)(C[5]C[5,5]C)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br){2|C<3>,2|C<4>,4|H<1>}	Br(C[5,6]C[5,5,6]C[6]N[5])	N[5](C[5,6]C[5,5,6]C[6]Br)(C[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1
474	924	976	0:SP3_SP-NON_SP2	C[5,6]	Br	O[5]	4:3:2:1:	4:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:Br-1:	C[5,6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br)	Br(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]Br)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br){4|C<3>}	Br(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]Br){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1
474	924	976	0:SP3_SP-NON_SP3	C[5,6,6]	Br	O[5,6]	4:2:4:1:	4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:Br-1:	C[5,6,6]-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br)	Br(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]Br)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	Br(C[5,6,6]C[5,5,6,6]O[5,6]C[6])	O[5,6](C[5,6,6]C[5,5,6,6]C[6]Br)(C[5,5,6]C[5,5]C[5,6]H){1|Br<1>,1|C<4>,1|N<3>,6|H<1>}	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.9560	0.343	2
474	924	976	0:SP3_SP-NON_SP3	C[5]	Br	O[5]	4:2:3:1:	4:	4:4:	C[5,5]-4:O[5]-2:C-3:Br-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br)	Br(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br){1|C<4>,1|O<2>,3|H<1>}	Br(C[5]C[5,5]O[5]C)	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	108.9560	0.343	2
474	927	951	0:SP3_SP-NON_SP2	C[5]	B[6a]	H	3:4:4:1:	3:3:4:	4:	B[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-3:N[6a]-3:C[5]-4:	C[5]-4:	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H)	H(C[5]B[6a]C[5]2)	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[5]B[6a]C[5]2)	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1
474	930	930	0:SP3_SP2_SP2	C[5,6]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(COO)2	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(COO)2{1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	109.1950	0.000	1	109.1950	0.000	1	108.0485	2.629	2	107.5772	1.723	5	107.5772	1.723	5	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5,6]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)2	C(C[5,6]C[5,5,6]C[5,6]C)(OC[6])(O)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)2{1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(OC[6])(O)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	106.9020	0.000	1	106.9020	0.000	1	108.0485	2.629	2	107.5772	1.723	5	107.5772	1.723	5	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5,6]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	C(C[5,6]C[5,6]2C)(OC)(O)	C(C[5,6]C[5,6]2C)(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	C(C[5,6]C[5,6]2C)(OC)(O)	C(C[5,6]C[5,6]2C)(OC)(O)	106.6435	1.104	2	106.6435	1.218	2	107.2630	1.761	3	107.5772	1.723	5	107.5772	1.723	5	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5,6]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2	C(C[5,6]C[5,6]2C)(OC)(O)	C(C[5,6]C[5,6]2C)(OC)(O)	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6]2C)(OC)(O)	C(C[5,6]C[5,6]2C)(OC)(O)	108.5020	0.000	1	108.5020	0.000	1	107.2630	1.761	3	107.5772	1.723	5	107.5772	1.723	5	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	2:2:3:3:	4:1:1:	4:1:1:	O[5]-2:O[5]-2:C-3:C-3:	C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:	C[5](O[5]C[5])2(CHH)2	C(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)2	C[5](O[5]C[5])2(CHH)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)2	C(C[5]O[5]2C)(H)2	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:2:1:	4:2:1:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2{4|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	108.7420	0.000	1	108.7420	0.000	1	109.3010	0.625	2	110.3270	2.503	6	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:2:1:	4:2:1:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]N[5]C)(O[5]C[5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]N[5]C)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	109.8600	0.000	1	109.8600	0.000	1	109.3010	0.625	2	110.3270	2.503	6	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:2:1:	4:2:1:	C[5]-3:S[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2	C(C[5]C[5]S[5]C)(OC)(O)	C(C[5]C[5]S[5]C)(OC)(O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2{2|C<3>}	C(C[5]C[5]S[5]C)(OC)(O)	C(C[5]C[5]S[5]C)(OC)(O)	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	110.3270	2.503	6	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:2:1:	4:2:1:	N[5]-3:S[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2	C(C[5]N[5]S[5]C)(OC)(O)	C(C[5]N[5]S[5]C)(OC)(O)	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2{1|H<1>,5|C<3>}	C(C[5]N[5]S[5]C)(OC)(O)	C(C[5]N[5]S[5]C)(OC)(O)	111.9440	0.000	1	111.9440	0.000	1	110.6847	4.221	3	110.3270	2.503	6	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:2:1:	4:2:1:	N[5]-3:S[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2	C(C[5]N[5]S[5]C)(OC)(O)	C(C[5]N[5]S[5]C)(OC)(O)	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2{1|H<1>,5|C<3>}	C(C[5]N[5]S[5]C)(OC)(O)	C(C[5]N[5]S[5]C)(OC)(O)	110.0550	2.462	2	110.0550	6.062	2	110.6847	4.221	3	110.3270	2.503	6	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:3:1:	4:2:1:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[5]C[5]O[5]C)(OC)(O)	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:3:1:	4:3:1:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[6a]-3:O-1:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2{2|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	108.4430	0.454	2	108.4430	0.206	2	108.4430	0.206	2	108.4430	0.206	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:3:1:	4:4:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:N-3:O-1:	C[5]-4:C-4:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO)	C(C[5]S[5]2C)(NC[6a]C)(O)	C(C[5]S[5]2C)(CH3)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO){4|H<1>}	C(C[5]S[5]2C)(NC[6a]C)(O)	C(C[5]S[5]2C)(CH3)(O)	115.6380	0.020	2	115.6380	0.000	2	113.1920	17.949	3	113.1920	17.949	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:3:1:	4:4:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:N-3:O-1:	C[5]-4:C-4:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO)	C(C[5]S[5]2C)(NC[6a]H)(O)	C(C[5]S[5]2C)(CH3)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO){4|H<1>}	C(C[5]S[5]2C)(NC[6a]H)(O)	C(C[5]S[5]2C)(CH3)(O)	108.3000	0.000	1	108.3000	0.000	1	113.1920	17.949	3	113.1920	17.949	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:3:2:	4:2:1:	C[5,6a]-3:N[5]-2:C-3:C-3:	C[5]-4:C-3:N-2:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C(C[5]C[5,6a]N[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C(C[5]C[5,6a]N[5]C)(OC)(O)	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:2:3:3:	4:4:1:	4:2:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:O-2:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(COO)	C(C[5]S[5]2C)(CH3)(O)	C(C[5]S[5]2C)(OC)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(COO){4|H<1>}	C(C[5]S[5]2C)(CH3)(O)	C(C[5]S[5]2C)(OC)(O)	110.4865	1.333	2	110.4865	1.777	2	110.4865	1.777	2	110.4865	1.777	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:1:1:	4:1:1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:	C[5](C[5]N[5]C)(N[5]C[5]O)(CHH)2	C(C[5]C[5]N[5]C)(H)2	C(C[5]C[5]N[5]C)(H)2	C[5](C[5]N[5]C)(N[5]C[5]O)(CHH)2{1|Ni<6>,2|C<4>}	C(C[5]C[5]N[5]C)(H)2	C(C[5]C[5]N[5]C)(H)2	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5,6a]-3:C[5,6a]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])2(COO)2	C(C[5]C[5,6a]2C)(OC)(O)	C(C[5]C[5,6a]2C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])2(COO)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2C)(OC)(O)	C(C[5]C[5,6a]2C)(OC)(O)	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5,6a]-3:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(COO)2	C(C[5]C[5,6a]N[5]C)(OC)(O)	C(C[5]C[5,6a]N[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5]C)(OC)(O)	C(C[5]C[5,6a]N[5]C)(OC)(O)	118.5040	0.000	1	118.5040	0.000	1	118.5040	0.000	1	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)2{1|Ru<10>,2|C<3>,2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.5330	0.000	1	110.5330	0.000	1	109.3110	2.987	2	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(COO)2{1|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.0890	0.000	1	108.0890	0.000	1	109.3110	2.987	2	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2{1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	109.3050	0.840	2	109.3050	0.706	2	109.7169	8.299	7	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]H)(N[5]C[5]H)(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	105.2840	0.000	1	105.2840	0.000	1	109.7169	8.299	7	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	110.0470	1.022	2	110.0470	1.045	2	109.7169	8.299	7	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)2{1|C<2>,1|N<3>,2|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	109.0760	0.000	1	109.0760	0.000	1	109.7169	8.299	7	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2{2|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	114.9540	0.000	1	114.9540	0.000	1	109.7169	8.299	7	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	N[5,5]-3:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(COO)2	C(C[5]N[5,5]C[5]C)(OC)(O)	C(C[5]N[5,5]C[5]C)(OC)(O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(COO)2{1|O<1>,1|O<2>,3|C<3>}	C(C[5]N[5,5]C[5]C)(OC)(O)	C(C[5]N[5,5]C[5]C)(OC)(O)	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	N[5,6]-3:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2	C(C[5]N[5,6]C[5]C)(OC)(O)	C(C[5]N[5,6]C[5]C)(OC)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2{1|C<3>,1|C<4>,4|H<1>}	C(C[5]N[5,6]C[5]C)(OC)(O)	C(C[5]N[5,6]C[5]C)(OC)(O)	105.3270	0.000	1	105.3270	0.000	1	105.3270	0.000	1	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	N[5]-3:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2{5|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:2:1:	4:2:1:	N[5]-3:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2	C(C[5]N[5]2C)(OC)(O)	C(C[5]N[5]2C)(OC)(O)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5]N[5]2C)(OC)(O)	C(C[5]N[5]2C)(OC)(O)	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.6196	10.654	16	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:3:1:	4:2:1:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO)	C(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(COO){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(OC)(O)	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	113.3690	8.209	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO)	C(C[5]C[5]2C)(CC[6a]H)(H)	C(C[5]C[5]2C)(NCH)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CCH)(CNO){2|C<3>}	C(C[5]C[5]2C)(CC[6a]H)(H)	C(C[5]C[5]2C)(NCH)(O)	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	113.3690	8.209	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:4:2:	4:2:1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5]-4:Si-4:C-2:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSiC)(COO)	C(C[5]C[5,6a]C[5]C)(SiC3)(CC)	C(C[5]C[5,6a]C[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSiC)(COO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(SiC3)(CC)	C(C[5]C[5,6a]C[5]C)(OC)(O)	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:3:3:3:	4:4:3:	4:2:1:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-4:C-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO)	C(C[5]C[5]2C)(CH3)(CCH)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO){1|C<3>,1|N<3>}	C(C[5]C[5]2C)(CH3)(CCH)	C(C[5]C[5]2C)(OC)(O)	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:2:1:	4:2:1:	C[5,5]-3:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	107.7204	3.458	18	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:2:1:	4:2:1:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	106.6490	0.725	10	106.6490	0.526	10	106.6490	0.526	10	107.7204	3.458	18	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:2:1:	4:2:1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	108.7280	0.000	1	108.7280	0.000	1	109.3672	2.706	4	107.7204	3.458	18	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:2:1:	4:2:1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	107.7410	0.000	1	107.7410	0.000	1	109.3672	2.706	4	107.7204	3.458	18	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:2:1:	4:2:1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)2	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)2{1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	110.5000	1.581	2	110.5000	2.500	2	109.3672	2.706	4	107.7204	3.458	18	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.7565	0.377	2	107.7565	0.142	2	107.7565	0.142	2	107.7204	3.458	18	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:2:1:	4:2:1:	N[5,5a]-3:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2	C(C[5]N[5,5a]C[5]C)(OC)(O)	C(C[5]N[5,5a]C[5]C)(OC)(O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]N[5,5a]C[5]C)(OC)(O)	C(C[5]N[5,5a]C[5]C)(OC)(O)	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	107.7204	3.458	18	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(O)	115.4320	0.000	1	115.4320	0.000	1	115.4320	0.000	1	115.3898	0.161	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:3:1:	4:3:1:	N[5]-3:C[5]-4:C-3:C-3:	C[5]-4:N-3:O-1:	C[5]-4:N-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2	C(C[5]C[5]N[5]C)(NCH)(O)	C(C[5]C[5]N[5]C)(NCH)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2{2|H<1>,4|C<3>}	C(C[5]C[5]N[5]C)(NCH)(O)	C(C[5]C[5]N[5]C)(NCH)(O)	115.6580	0.031	2	115.6580	0.001	2	115.3757	0.240	3	115.3898	0.161	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:3:1:	4:3:1:	N[5]-3:C[5]-4:C-3:C-3:	C[5]-4:N-3:O-1:	C[5]-4:N-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2{2|H<1>,4|C<3>}	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	114.8110	0.000	1	114.8110	0.000	1	115.3757	0.240	3	115.3898	0.161	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:3:1:	4:4:1:	N[5,6]-3:C[5]-4:C-3:C-3:	C[5]-4:N-3:O-1:	C[5]-4:C-4:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCO)(CNO)	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	C(C[5]N[5,6]C[5]C)(CH3)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCO)(CNO){1|C<3>,1|N<2>,4|H<1>}	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	C(C[5]N[5,6]C[5]C)(CH3)(O)	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	3:4:3:3:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[5]C)(COO)	C(C[5]C[5,6a]C[5]C)(C[5]N[5]S[5])(COO)	C(C[5]C[5,6a]C[5]C)(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[5]C)(COO){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5]N[5]S[5])(COO)	C(C[5]C[5,6a]C[5]C)(OC)(O)	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5,5]-4:N[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(COO)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2	C(C[5]C[5,5]O[5]C)(OC)(O)	C(C[5]C[5,5]O[5]C)(OC)(O)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2{1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]C)(OC)(O)	C(C[5]C[5,5]O[5]C)(OC)(O)	109.3120	0.000	1	109.3120	0.000	1	110.2550	1.778	2	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2	C(C[5]C[5,5]O[5]C)(OC)(O)	C(C[5]C[5,5]O[5]C)(OC)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]O[5]C)(OC)(O)	C(C[5]C[5,5]O[5]C)(OC)(O)	111.1980	0.000	1	111.1980	0.000	1	110.2550	1.778	2	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	C(C[5]C[5,6]O[5]C)(OC)(O)	C(C[5]C[5,6]O[5]C)(OC)(O)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]O[5]C)(OC)(O)	C(C[5]C[5,6]O[5]C)(OC)(O)	113.8300	0.000	1	112.9170	1.667	2	112.9170	1.667	2	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	C(C[5]C[5,6]O[5]C)(OC)(O)	C(C[5]C[5,6]O[5]C)(OC)(O)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5,6]O[5]C)(OC)(O)	C(C[5]C[5,6]O[5]C)(OC)(O)	112.0040	0.000	1	112.9170	1.667	2	112.9170	1.667	2	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(N[5]C[5])(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]CH)(N[5]C[5])(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	108.1325	1.710	2	108.1325	2.926	2	108.7370	3.616	5	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2{1|H<1>,5|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	107.7610	0.000	1	107.7610	0.000	1	108.7370	3.616	5	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2{1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	111.7620	0.000	1	111.7620	0.000	1	108.7370	3.616	5	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	C(C[5]C[5]O[5]C)(OC)(O)	107.8970	0.000	1	107.8970	0.000	1	108.7370	3.616	5	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:1:	4:2:1:	C[5]-4:S[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2	C(C[5]C[5]S[5]C)(OC)(O)	C(C[5]C[5]S[5]C)(OC)(O)	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2{1|C<3>,1|N<2>}	C(C[5]C[5]S[5]C)(OC)(O)	C(C[5]C[5]S[5]C)(OC)(O)	110.0125	0.824	2	110.0125	0.679	2	110.0125	0.679	2	109.9461	4.951	13	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:2:2:	4:2:2:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:N-2:O-2:	C[5]-4:N-2:O-2:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2	C(C[5]C[5]O[5]C)(NH)(OC)	C(C[5]C[5]O[5]C)(NH)(OC)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2{4|C<3>}	C(C[5]C[5]O[5]C)(NH)(OC)	C(C[5]C[5]O[5]C)(NH)(OC)	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:3:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[5]C[5]O[5]C)(OC)(O)	106.3235	0.227	2	106.3235	0.052	2	106.3235	0.052	2	107.3360	3.101	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:3:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5]O[5]C)(OC)(O)	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	107.3360	3.101	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:3:1:	4:3:1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2	C(C[5]C[5,6]O[5]C)(CHH)(H)	C(C[5]C[5,6]O[5]C)(CHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CHH)(H)	C(C[5]C[5,6]O[5]C)(CHH)(H)	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	106.8547	2.829	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:3:1:	4:3:1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	106.8547	2.829	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:3:1:	4:3:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[6a]-3:O-1:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2{1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	107.7820	1.830	2	107.7820	3.349	2	107.7820	3.349	2	106.8547	2.829	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:4:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO)	C(C[5]C[5]O[5]C)(CH3)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(CH3)(O)	C(C[5]C[5]O[5]C)(OC)(O)	112.7220	0.000	1	112.7220	0.000	1	110.3795	10.975	2	110.3795	10.975	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:4:1:	4:2:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO)	C(C[5]C[5]O[5]C)(CH3)(O)	C(C[5]C[5]O[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(CH3)(O)	C(C[5]C[5]O[5]C)(OC)(O)	108.0370	0.000	1	108.0370	0.000	1	110.3795	10.975	2	110.3795	10.975	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:4:1:	4:4:1:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:C-4:O-1:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2	C(C[5]C[5,5]O[5]C)(CH3)(O)	C(C[5]C[5,5]O[5]C)(CH3)(O)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,5]O[5]C)(CH3)(O)	C(C[5]C[5,5]O[5]C)(CH3)(O)	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	108.7010	0.691	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:2:3:3:	4:4:1:	4:4:1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:C-4:O-1:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2	C(C[5]C[5]O[5]C)(CH3)(O)	C(C[5]C[5]O[5]C)(CH3)(O)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2{1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CH3)(O)	C(C[5]C[5]O[5]C)(CH3)(O)	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	108.7010	0.691	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	3:4:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[6a]-3:C[5]-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]O)(COO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(OC)(O)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	3:4:3:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[6a]-3:C[5]-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C(C[5]C[5]2C)(OC)(O)	110.6880	0.000	1	110.6880	0.000	1	111.9245	3.058	2	111.9245	3.058	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	3:4:3:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[6a]-3:C[5]-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)(COO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	C(C[5]C[5]2C)(OC)(O)	113.1610	0.000	1	113.1610	0.000	1	111.9245	3.058	2	111.9245	3.058	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5,6a]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2	C(C[5]C[5,6a]C[5,5]C)(OC)(O)	C(C[5]C[5,6a]C[5,5]C)(OC)(O)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]C)(OC)(O)	C(C[5]C[5,6a]C[5,5]C)(OC)(O)	106.1760	0.000	1	106.1760	0.000	1	106.1760	0.000	1	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(COO)2{1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	104.3800	0.000	1	104.3800	0.000	1	105.5810	2.885	2	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2{2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	106.7820	0.000	1	106.7820	0.000	1	105.5810	2.885	2	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]S)(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]S)(COO)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	110.0500	0.000	1	110.0500	0.000	1	112.1471	15.823	9	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(COO)2{1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	115.3840	0.000	1	115.3840	0.000	1	112.1471	15.823	9	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]O[5]O)(N[5]C[5]S)(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	C[5](C[5,5]C[5,5]O[5]O)(N[5]C[5]S)(COO)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	114.0900	0.000	1	114.0900	0.000	1	112.1471	15.823	9	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]S)(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]S)(COO)2{1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	113.5560	2.333	2	113.5560	5.445	2	112.1471	15.823	9	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(COO)2{1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	115.4045	0.193	2	115.4045	0.037	2	112.1471	15.823	9	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5]2S[5])(N[5]C[5]H)(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	C[5](C[5,5]C[5]2S[5])(N[5]C[5]H)(COO)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]C)(OC)(O)	C(C[5]C[5,5]N[5]C)(OC)(O)	105.9395	0.436	2	105.9395	0.190	2	112.1471	15.823	9	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5,6a]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	111.6748	1.628	4	111.6748	2.649	4	111.3074	2.662	5	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(COO)2{3|C<3>,4|H<1>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	109.8380	0.000	1	109.8380	0.000	1	111.3074	2.662	5	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	110.6730	0.000	1	110.6730	0.000	1	109.3286	11.953	7	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2{1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	114.7080	0.000	1	114.7080	0.000	1	109.3286	11.953	7	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	105.8230	3.520	2	107.9838	7.983	5	109.3286	11.953	7	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	C(C[5]C[5,6]N[5]C)(OC)(O)	C(C[5]C[5,6]N[5]C)(OC)(O)	109.4243	1.410	3	107.9838	7.983	5	109.3286	11.953	7	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2{1|H<1>,4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.9390	0.000	1	110.9390	0.000	1	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(COO)2{1|C<3>,1|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.9350	0.000	2	108.9350	0.000	2	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.8847	1.368	3	108.8847	1.872	3	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.0990	0.000	1	107.0990	0.000	1	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2{4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.0350	0.000	1	107.0350	0.000	1	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)2{1|C<3>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.6783	2.773	3	110.6783	7.689	3	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(C[5]S[5]N)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]CH)(C[5]S[5]N)(COO)2{1|C<3>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	112.3840	0.000	1	112.3840	0.000	1	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.5240	0.000	1	109.0572	2.027	4	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{1|N<2>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.7370	0.000	1	109.0572	2.027	4	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{3|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.9030	0.000	1	109.0572	2.027	4	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{4|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	111.0650	0.000	1	109.0572	2.027	4	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(COO)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.1070	0.000	1	107.1070	0.000	1	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]N)(COO)2{1|C<2>,1|C<3>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.9280	2.376	3	107.9280	5.645	3	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	109.9235	0.036	2	109.9235	0.001	2	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	111.9380	0.000	1	111.9380	0.000	1	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	106.5878	0.634	6	106.5878	0.403	6	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]S[5]C)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]S[5]C)(COO)2{1|C<3>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	109.2245	0.972	2	109.2245	0.945	2	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]S[5]N)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]S[5]N)(COO)2{1|C<3>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.5970	0.000	1	110.5970	0.000	1	108.7967	4.008	32	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	108.1900	0.000	1	108.1900	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{1|H<1>,1|N<3>,4|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	106.8570	0.000	1	107.6023	1.129	3	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{2|H<1>,4|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	107.9750	1.194	2	107.6023	1.129	3	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	108.9700	0.000	1	108.9853	0.210	4	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2{2|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	108.9903	0.561	3	108.9853	0.210	4	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)2{1|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	114.4640	0.000	1	114.4640	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CO)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]CO)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	111.5410	0.000	1	111.5410	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CO)(N[5]C[5]S)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]CO)(N[5]C[5]S)(COO)2{1|C<3>,3|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	113.1030	0.000	1	113.1030	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	110.4060	0.000	1	110.4060	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	109.6630	0.673	2	108.9077	8.104	4	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2{2|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	108.1525	4.645	2	108.9077	8.104	4	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HN)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]HN)(N[5]C[5]H)(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	110.5850	0.000	1	110.5850	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	111.6145	0.903	2	111.7803	0.490	3	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	112.1120	0.000	1	111.7803	0.490	3	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)2{1|C<4>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	108.9570	0.000	1	108.9570	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	108.6990	0.000	1	109.9585	3.173	2	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	111.2180	0.000	1	109.9585	3.173	2	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(COO)2{1|F<1>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	108.9600	0.000	1	108.9600	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	111.8400	0.000	1	111.8400	0.000	1	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2{5|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	106.4105	1.545	2	106.4105	2.387	2	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:2:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(OC)(O)	110.9330	2.260	3	110.9330	5.107	3	109.7768	5.095	30	109.6099	7.360	87	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO)	C(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(OC)(O)	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	110.2785	13.944	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:1:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-3:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO)	C(C[5]C[5]2C)(CHP)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)(COO){4|H<1>}	C(C[5]C[5]2C)(CHP)(O)	C(C[5]C[5]2C)(OC)(O)	112.9190	0.000	1	112.9190	0.000	1	112.9190	0.000	1	110.2785	13.944	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:2:	4:3:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C-3:N-2:	C[5]-4:N-3:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO)	C(C[5]C[5]N[5]C)(COO)(NN)	C(C[5]C[5]N[5]C)(NCH)(O)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]C)(COO)(NN)	C(C[5]C[5]N[5]C)(NCH)(O)	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	107.7322	2.879	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:2:	4:3:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:N-2:	C[5]-4:N-3:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C(C[5]C[5]N[5]C)(NCH)(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C(C[5]C[5]N[5]C)(NCH)(O)	106.7010	0.317	2	106.7010	0.100	2	106.9007	0.170	3	107.7322	2.879	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:2:	4:3:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:N-2:	C[5]-4:N-3:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C(C[5]C[5]N[5]C)(NC[6]H)(O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){4|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a])	C(C[5]C[5]N[5]C)(NC[6]H)(O)	107.3000	0.000	1	107.3000	0.000	1	106.9007	0.170	3	107.7322	2.879	4	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(C[5]C[5]2C)(CCC)(CCH)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(C[5]C[5]2C)(CCC)(CCH)	C(C[5]C[5]2C)(OC)(O)	115.0450	0.000	1	115.0450	0.000	1	112.7265	10.751	2	113.3433	6.517	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C(C[5]C[5]2C)(OC)(O)	110.4080	0.000	1	110.4080	0.000	1	112.7265	10.751	2	113.3433	6.517	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:3:3:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]PdC)(N[5]C[5,6a]C)(CCC)(COO)	C(C[5]C[5]N[5]C)(CPdC)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5,6a]PdC)(N[5]C[5,6a]C)(CCC)(COO){2|C<3>}	C(C[5]C[5]N[5]C)(CPdC)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	113.3433	6.517	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:4:1:	4:2:1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCO)(COO)	C(C[5]C[5]N[5]C)(CH3)(O)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCO)(COO){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]C)(CH3)(O)	C(C[5]C[5]N[5]C)(OC)(O)	106.2580	0.000	1	106.2580	0.000	1	106.2580	0.000	1	106.2580	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:4:2:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-4:N-2:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO)	C(C[5]C[5]2C)(CH3)(NN)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO){3|H<1>}	C(C[5]C[5]2C)(CH3)(NN)	C(C[5]C[5]2C)(OC)(O)	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:4:3:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO)	C(C[5]C[5]2C)(CH3)(CHH)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCC)(COO){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(CH3)(CHH)	C(C[5]C[5]2C)(OC)(O)	110.3940	0.000	1	110.3940	0.000	1	108.8945	4.497	2	108.8945	4.497	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:3:3:3:	4:4:3:	4:2:1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C(C[5]C[5]2C)(CCHH)(CHH)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C(C[5]C[5]2C)(CCHH)(CHH)	C(C[5]C[5]2C)(OC)(O)	107.3950	0.000	1	107.3950	0.000	1	108.8945	4.497	2	108.8945	4.497	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	3:4:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)2(CC[6a]O)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)2(CC[6a]O)(COO){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(OC)(O)	109.0410	0.542	2	109.0410	0.293	2	109.9910	2.854	3	109.9910	2.854	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	3:4:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(CC[6a]O)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(CC[6a]O)(COO){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(OC)(O)	111.8910	0.000	1	111.8910	0.000	1	109.9910	2.854	3	109.9910	2.854	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(CC[5]H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]O)(CCH){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(CC[5]H)(H)	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	3:4:3:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(CC[6a]C)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(CC[6a]C)(COO){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C(C[5]C[5]2C)(OC)(O)	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HH)(COO)2	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	111.3640	0.110	2	111.3640	0.012	2	110.6188	0.622	5	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(COO)2	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	110.4310	0.000	1	110.4310	0.000	1	110.6188	0.622	5	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(COO)2	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	110.4580	0.000	1	110.4580	0.000	1	110.6188	0.622	5	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(COO)2	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[3,5]C[5]C)(OC)(O)	C(C[5]C[3,5]C[5]C)(OC)(O)	109.4770	0.000	1	109.4770	0.000	1	110.6188	0.622	5	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[4,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(COO)2	C(C[5]C[4,5]C[5]C)(OC)(O)	C(C[5]C[4,5]C[5]C)(OC)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[4,5]C[5]C)(OC)(O)	C(C[5]C[4,5]C[5]C)(OC)(O)	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(COO)2	C(C[5]C[5,5,6]C[5]C)(OC)(O)	C(C[5]C[5,5,6]C[5]C)(OC)(O)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HH)(COO)2{1|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5]C)(OC)(O)	C(C[5]C[5,5,6]C[5]C)(OC)(O)	106.7700	0.000	1	106.7700	0.000	1	106.7700	0.000	1	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5,6]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(COO)2	C(C[5]C[5,5]C[5,6]C)(OC)(O)	C(C[5]C[5,5]C[5,6]C)(OC)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(COO)2{1|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5,6]C)(OC)(O)	C(C[5]C[5,5]C[5,6]C)(OC)(O)	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	108.1800	0.000	1	108.1800	0.000	1	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	105.9460	0.000	1	105.9460	0.000	1	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	108.5300	0.000	1	108.2103	0.270	3	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	108.0505	0.622	2	108.2103	0.270	3	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OH)(O)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OH)(O)	115.6460	0.000	1	115.6460	0.000	1	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	108.1800	0.000	1	108.1800	0.000	1	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	106.8848	0.864	5	106.8848	0.747	5	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	109.5660	0.000	1	109.5660	0.000	1	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(OC)(O)	110.6437	1.637	4	110.6437	2.679	4	108.7734	6.306	17	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2	C(C[5]C[5,6]2C)(OC)(O)	C(C[5]C[5,6]2C)(OC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2{2|C<3>,3|C<4>,4|H<1>}	C(C[5]C[5,6]2C)(OC)(O)	C(C[5]C[5,6]2C)(OC)(O)	103.4630	1.212	2	103.4630	1.469	2	103.4630	1.469	2	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)2{1|N<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	105.3650	0.761	2	105.3650	0.579	2	107.9978	3.491	13	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	109.1580	0.000	1	107.8990	3.170	2	107.9978	3.491	13	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	106.6400	0.000	1	107.8990	3.170	2	107.9978	3.491	13	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(COO)2{1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	105.6450	0.000	1	105.6450	0.000	1	107.9978	3.491	13	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	108.7993	1.143	6	108.7993	1.306	6	107.9978	3.491	13	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	108.1200	0.000	1	108.1200	0.000	1	107.9978	3.491	13	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]C)(OC)(O)	C(C[5]C[5,6]C[5]C)(OC)(O)	110.8830	0.000	1	110.8830	0.000	1	107.9978	3.491	13	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:N-2:H-1:	C[5]-4:N-2:H-1:	C[5](C[5]C[5]HH)2(CHN)2	C(C[5]C[5]2C)(NC[6a])(H)	C(C[5]C[5]2C)(NC[6a])(H)	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	C(C[5]C[5]2C)(NC[6a])(H)	C(C[5]C[5]2C)(NC[6a])(H)	108.5485	0.326	2	108.5485	0.106	2	108.5485	0.106	2	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	105.6300	0.000	1	105.6300	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	105.3590	0.000	1	105.3590	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[3,5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[3,5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.5620	0.000	1	107.5620	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.7970	0.000	1	108.7970	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(COO)2{1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	112.1880	0.103	2	112.1880	0.011	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2{1|N<3>,2|H<1>,4|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.8625	3.451	2	108.8625	11.912	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.4550	0.000	1	107.4550	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.4500	0.000	1	107.4500	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.7830	0.000	1	108.7830	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[4,5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[4,5]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.7550	0.000	1	107.7550	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.0440	0.000	1	108.0440	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(COO)2{1|C<4>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.0340	0.000	1	107.0340	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	109.6700	0.000	1	109.4527	0.900	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	109.3440	1.315	2	109.4527	0.900	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2{1|C<2>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.1410	0.000	1	108.1290	8.096	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	106.1170	0.000	1	108.1290	8.096	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.0400	0.000	1	108.2533	2.549	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.6577	1.302	3	108.2533	2.549	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OH)(O)	108.7055	0.767	2	108.7055	0.589	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.8015	0.684	2	108.8015	0.468	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5]HH)2(COO)2{1|Ru<8>,2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	104.0020	0.000	1	104.0020	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]HH)(COO)2{1|N<3>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.8690	0.000	1	108.8690	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,5a]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,5a]HH)2(COO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.6290	0.000	1	107.6290	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.3680	0.000	1	106.8930	2.364	5	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{2|H<1>,4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	106.7742	1.749	4	106.8930	2.364	5	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.8415	0.590	2	108.7578	0.216	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{5|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.6740	0.522	2	108.7578	0.216	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.5253	1.756	3	108.3341	3.272	11	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.6693	1.854	4	108.3341	3.272	11	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]HH)2(COO)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.8305	0.175	2	108.3341	3.272	11	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6]HH)2(COO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.3805	0.094	2	108.3341	3.272	11	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2{4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	111.3350	0.000	1	111.3350	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.6255	0.429	2	107.6255	0.184	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)2(COO)2{1|C<3>,1|N<2>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.5150	0.000	1	108.4078	2.677	29	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.3325	1.614	28	108.4078	2.677	29	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OH)(O)	C(C[5]C[5]2C)(OH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)2{1|C<3>,3|H<1>}	C(C[5]C[5]2C)(OH)(O)	C(C[5]C[5]2C)(OH)(O)	108.0600	0.000	1	108.0600	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	106.8370	0.000	1	109.4600	5.450	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.7715	0.762	2	109.4600	5.450	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)2{2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OH)(O)	107.1540	2.490	2	107.1540	6.202	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(COO)2{1|O<2>,3|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.7260	0.000	1	107.7260	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	111.7890	0.000	1	111.7890	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(COO)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.0970	0.000	1	107.0970	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.7980	0.000	1	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.8065	0.675	4	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	109.5120	0.000	1	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.7480	0.000	1	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,1|N<4>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	111.9635	0.889	2	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.7160	0.000	1	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.1990	0.000	1	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	109.4878	1.060	5	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{2|C<3>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.1735	0.103	2	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.5747	2.208	15	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.4280	0.000	1	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]HH)2(COO)2{2|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.8975	0.321	4	108.7777	2.917	38	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)2(COO)2	C(C[5]C[5]2C)(OH)(O)	C(C[5]C[5]2C)(OH)(O)	C[5](C[5]C[5]HH)2(COO)2{2|H<1>}	C(C[5]C[5]2C)(OH)(O)	C(C[5]C[5]2C)(OH)(O)	107.2670	0.000	1	107.2670	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(COO)2{2|H<1>,3|C<4>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.3830	0.000	1	108.3830	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.7710	0.000	1	108.9502	3.343	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.5260	0.000	1	108.9502	3.343	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{2|H<1>,4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.2520	1.795	2	108.9502	3.343	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	106.7640	0.000	1	109.2300	6.778	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{2|H<1>,5|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.4630	2.106	2	109.2300	6.778	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2{3|C<3>,3|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.3700	0.000	1	110.3700	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	106.9540	3.673	2	107.2690	7.042	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.8990	0.000	1	107.2690	7.042	3	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2{2|H<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.7425	0.457	2	110.7425	0.209	2	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	109.3078	0.978	5	109.3078	0.957	5	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	107.4310	0.000	1	108.2565	1.215	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	108.5317	1.170	3	108.2565	1.215	4	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	105.8130	0.000	1	105.8130	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:2:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2{4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(OC)(O)	110.1070	0.000	1	110.1070	0.000	1	108.5154	3.096	155	108.5014	3.610	197	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:3:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO)	C(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO){1|H<1>,1|S<4>,3|C<3>}	C(C[5]C[5]2C)(CCH)(H)	C(C[5]C[5]2C)(OC)(O)	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	110.1930	1.752	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:3:1:	4:2:1:	C[5]-4:N[5]-4:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	C(C[5]C[5]N[5]C)(CHH)(H)	C(C[5]C[5]N[5]C)(OC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]C)(CHH)(H)	C(C[5]C[5]N[5]C)(OC)(O)	111.1290	0.000	1	111.1290	0.000	1	111.1290	0.000	1	110.1930	1.752	2	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:N-3:H-1:	C[5]-4:N-3:H-1:	C[5](C[5]C[5]HH)2(CHN)2	C(C[5]C[5]2C)(NC[6a]Ni)(H)	C(C[5]C[5]2C)(NC[6a]Ni)(H)	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	C(C[5]C[5]2C)(NC[6a]Ni)(H)	C(C[5]C[5]2C)(NC[6a]Ni)(H)	115.4860	0.000	1	115.4860	0.000	1	114.8827	0.837	3	109.0709	30.162	7	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:N-3:H-1:	C[5]-4:N-3:H-1:	C[5](C[5]C[5]HH)2(CHN)2	C(C[5]C[5]2C)(NC[6a]Pd)(H)	C(C[5]C[5]2C)(NC[6a]Pd)(H)	C[5](C[5]C[5]HH)2(CHN)2{4|H<1>}	C(C[5]C[5]2C)(NC[6a]Pd)(H)	C(C[5]C[5]2C)(NC[6a]Pd)(H)	114.5810	1.062	2	114.5810	1.128	2	114.8827	0.837	3	109.0709	30.162	7	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:N-3:O-1:	C[5]-4:N-3:O-1:	C[5](C[5]C[5,6a]HH)2(CNO)2	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(NHH)(O)	C[5](C[5]C[5,6a]HH)2(CNO)2{2|C<3>}	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(NHH)(O)	104.7120	0.810	4	104.7120	0.655	4	104.7120	0.655	4	109.0709	30.162	7	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:4:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	C(C[5]C[5]2C)(CH3)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5]2C)(CH3)(O)	C(C[5]C[5]2C)(OC)(O)	108.1250	0.000	1	108.8195	0.965	2	108.8195	0.965	2	108.6333	0.586	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:4:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	C(C[5]C[5]2C)(CH3)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C(C[5]C[5]2C)(CH3)(O)	C(C[5]C[5]2C)(OC)(O)	109.5140	0.000	1	108.8195	0.965	2	108.8195	0.965	2	108.6333	0.586	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:4:1:	4:2:1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6]-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO)	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	C(C[5]C[5]2C)(OC)(O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(COO){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	C(C[5]C[5]2C)(OC)(O)	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.6333	0.586	3	109.1020	6.324	406	109.0835	6.291	411
474	930	930	0:SP3_SP2_SP2	C[5]	C	C	4:4:3:3:	4:4:1:	4:4:1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:C-4:O-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2	C(C[5]C[5,6]C[5]C)(CH3)(O)	C(C[5]C[5,6]C[5]C)(CH3)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5]C)(CH3)(O)	C(C[5]C[5,6]C[5]C)(CH3)(O)	106.4515	0.243	2	106.4515	0.059	2	106.4515	0.059	2	106.4515	0.059	2	109.1020	6.324	406	109.0835	6.291	411