474	466	952	0:SP3_SP3_SP3	C[5,6,6]	C[6]	S	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:S-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6a]-3:O-1:O-1:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H)	S(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	S(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.7230	0.086	2
474	466	952	0:SP3_SP3_SP3	C[5,6]	C[6]	S	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:S-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:O-1:O-1:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H)	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(O)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	S(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(O)2	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	110.7230	0.086	2
474	466	955	0:SP3_SP3_SP3	C[5,6]	C[6]	P[5]	4:2:3:4:	4:4:1:1:	4:3:2:1:	P[5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:Se[5]-2:Se-1:	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se)	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2{1|Se<1>,1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se){2|C<4>,4|H<1>,5|C<3>}	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	115.7223	13.863	9	115.7223	13.863	9
474	466	955	0:SP3_SP3_SP3	C[5,6]	C[6]	P[5]	4:3:4:1:	4:4:1:1:	4:3:3:2:	P[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:C-2:	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC)	C[5,6](P[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC){2|C<3>,3|H<1>,4|C<4>}	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	115.7223	13.863	9	115.7223	13.863	9
474	466	955	0:SP3_SP3_SP3	C[5,6]	C[6]	P[5]	4:4:3:4:	4:4:1:1:	4:3:3:1:	C[5,6]-4:P[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,7|C<3>}	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|C<4>,6|H<1>,7|C<3>}	113.2310	1.022	2	113.2310	1.045	2	113.2310	1.045	2	113.2310	1.045	2	115.7223	13.863	9	115.7223	13.863	9
474	466	955	0:SP3_SP3_SP3	C[5,6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	4:3:3:3:	C[5,6]-4:P[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O)	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O){3|H<1>,6|C<3>,6|C<4>}	119.0072	0.592	4	119.0072	0.351	4	119.0072	0.351	4	119.0072	0.351	4	115.7223	13.863	9	115.7223	13.863	9
474	466	955	0:SP3_SP3_SP3	C[5,6]	C[6]	P[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	P[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CO)(OH)(O){2|C<4>,5|H<1>}	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	115.7223	13.863	9	115.7223	13.863	9
474	466	955	6:SP3_SP3_SP3	C[5,5x6]	C[5x6]	P[5,5,3x6]	4:4:4:3:	4:4:3:1:	4:4:2:1:	C[5,4x6]-4:P[5,5,3x6]-4:C[5x6]-4:C[6a]-3:	C[5,5x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[5,5x6]-4:O[5,5]-2:O-1:	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2)	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H)	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O)	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>,8|C<3>}	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	105.5395	0.998	4	105.5395	0.996	4	105.5395	0.996	4	105.5395	0.996	4	105.5395	0.996	4	108.1760	11.124	8
474	466	955	6:SP3_SP3_SP3	C[5,6]	C[6]	P[5,6]	4:2:4:1:	4:3:1:1:	3:4:4:1:	P[5,6]-4:S[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:S-1:	C[5,6](P[5,6]C[5,6a]C[6]S)(S[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2	P[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(S)	C[5,6](P[5,6]C[5,6a]C[6]S)(S[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2{1|S<1>,2|C<3>,2|C<4>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(S){1|C<4>,3|C<3>,3|H<1>}	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.8125	6.424	4	108.1760	11.124	8
474	466	955	6:SP3_SP3_SP3	C[5,6]	C[6]	P[5,6]	4:3:4:3:	4:3:1:1:	4:4:2:1:	P[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:S-1:	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S)	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>,3|C<3>}	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S){1|C<4>,3|H<1>,4|C<3>}	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	110.8125	6.424	4	108.1760	11.124	8
474	466	955	6:SP3_SP3_SP3	C[5,6]	C[6]	P[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	P[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:S-1:	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2	P[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(S)	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	P[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(S){1|C<4>,8|H<1>}	112.6330	0.530	2	112.6330	0.281	2	112.6330	0.281	2	112.6330	0.281	2	110.8125	6.424	4	108.1760	11.124	8
474	466	956	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	N	4:3:4:3:	4:4:4:1:	4:1:1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:N-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O-1:O-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H)	N(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(O)2	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(O)2	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	3:4:4:3:	4:3:4:1:	4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO){1|S<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	105.2575	1.812	2	105.2575	3.284	2	105.2575	3.284	2	105.2575	3.284	2	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	3:4:4:3:	4:4:2:1:	4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	106.5950	0.000	1	106.5950	0.000	1	106.5950	0.000	1	106.5950	0.000	1	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	3:4:4:3:	4:4:4:1:	4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H)	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:2:3:	3:4:4:1:	4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:N-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	N(C[5,6]C[5,6]C[6]O[5])(O)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	N(C[5,6]C[5,6]C[6]O[5])(O)2	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:3:3:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:3:3:	4:3:2:1:	4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N(C[5,6]C[5,6]C[5]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	109.6055	1.719	2	109.6055	2.955	2	109.6055	2.955	2	109.6055	2.955	2	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	3:4:2:1:	4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	N(C[5,6]C[5,6]2C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	N(C[5,6]C[5,6]2C[6])(O)2	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.2900	0.789	2	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	3:4:2:1:	4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:N-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	N(C[5,6]C[5,6]C[5]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO){1|C<4>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	108.2900	0.789	2	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	N(C[5,6]C[5,6]C[5]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	108.7470	0.000	1	108.7470	0.000	1	108.1923	1.875	4	108.1923	1.875	4	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	N(C[5,6]C[5,6]C[5]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	106.1740	0.000	1	106.1740	0.000	1	108.1923	1.875	4	108.1923	1.875	4	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	N(C[5,6]C[5,6]C[5]C[6])(O)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	108.9240	0.417	2	108.9240	0.174	2	108.1923	1.875	4	108.1923	1.875	4	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:2:4:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H)	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	113.7580	0.000	1	113.7580	0.000	1	113.7580	0.000	1	113.7580	0.000	1	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:3:1:1:	4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2	N(C[5,6]C[5,6]C[5]C[6])(O)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2{5|C<4>,6|H<1>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	103.9970	0.000	1	103.9970	0.000	1	103.9970	0.000	1	103.9970	0.000	1	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:3:2:1:	4:1:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	109.6160	0.000	1	109.6160	0.000	1	108.1022	0.686	6	108.4756	2.329	9	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:3:2:1:	4:1:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	107.5600	0.000	1	107.5600	0.000	1	108.1022	0.686	6	108.4756	2.329	9	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:3:2:1:	4:1:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	107.8593	0.450	4	107.8593	0.202	4	108.1022	0.686	6	108.4756	2.329	9	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:3:2:1:	4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N(C[5,6]C[5,6]2C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N(C[5,6]C[5,6]2C[6])(O)2	110.2615	2.493	2	110.2615	6.213	2	110.2615	6.213	2	108.4756	2.329	9	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:3:2:1:	4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N(C[5,6]C[5,6]C[5]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N(C[5,6]C[5,6]C[5]C[6])(O)2	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	108.4756	2.329	9	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:1:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H)	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO){1|Fe<10>,1|S<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	109.5955	9.466	2	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:1:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H)	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	109.5955	9.466	2	108.4459	4.923	27	108.3902	4.628	29
474	466	956	0:SP3_SP2_SP3	C[5]	C[6]	N	3:4:3:3:	4:3:4:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:N-3:	C[5]-4:C[6]-3:C[6]-4:N-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH)	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN)	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN){1|N<3>,1|O<1>,4|C<3>}	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.3902	4.628	29
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	3:4:2:3:	4:4:1:1:	4:4:4:	C[5,6]-3:C[6]-4:O[5]-2:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2	N(C[5,6]C[5,6]C[6]O[5])(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N(C[5,6]C[5,6]C[6]O[5])(CH3)2	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	110.7908	9.296	10	110.7908	9.296	10
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	3:4:4:3:	3:4:2:1:	4:4:1:	N[5,6]-3:C[6]-4:C[5]-4:N-3:	N[5a,6]-3:C[5,6]-4:N-2:H-1:	C[5,6]-4:S-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H)	N(C[5,6]N[5,6]C[5]C[6])(SC[6a]OO)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	N(C[5,6]N[5,6]C[5]C[6])(SC[6a]OO)(H)	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	110.7908	9.296	10	110.7908	9.296	10
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	3:4:4:3:	4:4:1:1:	4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2	N(C[5,6]C[5,6a]C[5,6]C[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N(C[5,6]C[5,6a]C[5,6]C[6])(H)2	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	110.7908	9.296	10	110.7908	9.296	10
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	4:3:4:3:	4:4:1:1:	4:1:1:	C[5,6]-4:N[5]-3:C[6]-4:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH)	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2	N(C[5,6]C[5,6]C[6]N[5])(H)2	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N(C[5,6]C[5,6]C[6]N[5])(H)2	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	110.7908	9.296	10	110.7908	9.296	10
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2	N(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	110.7908	9.296	10	110.7908	9.296	10
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:3:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH)	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	110.7908	9.296	10	110.7908	9.296	10
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	N(C[5,6]C[5,6]C[5]C[6])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	N(C[5,6]C[5,6]C[5]C[6])(CH3)(H)	111.6827	0.406	3	111.6827	0.165	3	111.6827	0.165	3	111.6827	0.165	3	110.7908	9.296	10	110.7908	9.296	10
474	466	956	0:SP3_SP3_SP3	C[5,6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	N(C[5,6]C[5,6]C[5]C[6])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	N(C[5,6]C[5,6]C[5]C[6])(CH3)(H)	116.1590	0.000	1	116.1590	0.000	1	116.1590	0.000	1	116.1590	0.000	1	110.7908	9.296	10	110.7908	9.296	10
474	466	959	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	S[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:N[5,5]-3:O-1:O-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	S[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(O)2	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	S[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(O)2{1|C<3>,4|C<4>,5|H<1>}	112.4470	0.000	1	112.4677	0.307	3	112.4677	0.307	3	112.4677	0.307	3	112.4677	0.307	3	112.4052	6.474	8
474	466	959	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	S[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:N[5,5]-3:O-1:O-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	S[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(O)2	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|O<1>}	S[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(O)2{2|C<3>,3|C<4>,5|H<1>}	112.4780	0.783	2	112.4677	0.307	3	112.4677	0.307	3	112.4677	0.307	3	112.4677	0.307	3	112.4052	6.474	8
474	466	959	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:S[5]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(O)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(O)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	112.3678	11.172	5	112.4052	6.474	8
474	466	959	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:4:1:	3:4:2:1:	3:4:1:1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)2	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)2{1|O<2>,1|S<2>,3|C<3>,3|H<1>}	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	112.2075	5.285	2	112.3678	11.172	5	112.4052	6.474	8
474	466	959	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:4:1:	3:4:2:1:	3:4:1:1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)2	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(O)2{1|O<2>,1|S<2>,3|C<3>,3|H<1>}	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	112.2075	5.285	2	112.3678	11.172	5	112.4052	6.474	8
474	466	959	0:SP3_SP3_SP3	C[5,6]	C[6]	S[5]	4:4:4:3:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:S[5]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-1:O-1:	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	S[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)2	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H){6|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	S[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)2{2|C<4>,3|C<3>,3|H<1>}	111.4890	5.787	2	111.4890	33.489	2	111.4890	33.489	2	111.4890	33.489	2	112.3678	11.172	5	112.4052	6.474	8
474	466	959	6:SP3_SP3_SP3	C[5,6]	C[6]	S[5,6]	4:4:3:1:	4:3:4:1:	4:4:1:1:	C[6]-4:S[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:O-1:	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	S[5,6](C[5,6]C[5]C[6]H)2(O)2	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	S[5,6](C[5,6]C[5]C[6]H)2(O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.9175	0.483	2	106.9175	0.233	2	106.9175	0.233	2	106.9175	0.233	2	108.1593	2.144	4	108.1593	2.144	4
474	466	959	6:SP3_SP3_SP3	C[5,6]	C[6]	S[5,6]	4:4:3:1:	4:4:3:2:	4:4:1:1:	S[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5,6]-4:O-1:O-1:	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	S[5,6](C[5,6]C[5]C[6]H)2(O)2	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[5,6](C[5,6]C[5]C[6]H)2(O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.4010	0.174	2	109.4010	0.030	2	109.4010	0.030	2	109.4010	0.030	2	108.1593	2.144	4	108.1593	2.144	4
474	466	960	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	N[5,6]	4:2:2:4:	4:3:4:1:	4:3:	C[5,6,6]-4:O[5,5]-2:N[5,6]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	N[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]C){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,5,6]	C[6]	N[5]	3:3:4:2:	4:4:1:1:	4:3:	C[5,6]-3:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){2|Cl<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C){1|Cl<1>,1|N<2>,2|H<1>,3|C<4>}	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	108.0090	1.208	5	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,5,6]	C[6]	N[5]	4:3:2:4:	4:3:1:1:	4:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	108.0090	1.208	5	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,5,6]	C[6]	N[5]	4:3:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){1|Br<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C){2|Br<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	108.0090	1.208	5	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,5,6]	C[6]	N[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5]){2|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2{2|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[6a]C[5]){4|Br<1>,1|N<2>,2|C<4>,2|H<1>,3|C<3>}	107.9630	0.093	2	107.9630	0.009	2	107.9630	0.009	2	107.9630	0.009	2	108.0090	1.208	5	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	N[5]	4:4:2:2:	4:4:3:1:	4:3:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3: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)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(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>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	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>}	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6,6]	C[6]	N[5]	4:4:4:2:	4:3:2:2:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:N[5]-2:	C[5,6,6]-4:C[6]-3:O-2:O-2:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[6a]C[5])	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[6a]C[5]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.8035	0.025	2	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6,6]	C[6]	N[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:N[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[6a]C[5])	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[6a]C[5]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.8035	0.025	2	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6,6]	N[5]	4:4:2:2:	4:4:2:2:	4:3:	C[6,6]-4:C[6]-4:N[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH)	N[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]H)	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH){1|C<3>,3|H<1>,4|C<4>}	N[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]H){2|C<4>,2|O<2>,4|H<1>}	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	3:2:4:2:	4:4:1:1:	4:4:	C[5,6a]-3:S[6]-2:C[6]-4:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5])	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2	N[5](C[5,6]C[5,6a]C[6]S[6])(S[5]C[5,6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2{1|S<4>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6]S[6])(S[5]C[5,6a]OO){1|C<4>,2|H<1>,3|C<3>}	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	3:2:4:4:	4:4:1:1:	3:4:	N[5]-3:N[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	111.5770	0.585	2	111.5770	0.343	2	111.5770	0.343	2	111.5770	0.343	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	3:3:4:2:	4:4:1:1:	4:2:	C[6,6a]-3:N[5]-3:C[6]-4:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5]){1|C<4>,1|S<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:2:4:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|H<1>}	109.8005	1.415	2	109.8005	2.002	2	109.8005	2.002	2	109.8005	2.002	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:3:2:	4:4:1:1:	4:3:	N[5]-3:C[6]-4:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]BrH)(Br)(H)	N[5](C[5,6]C[6]2N[5])(C[5]C[5]H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]BrH)(Br)(H){1|Br<1>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.2015	0.118	2	113.2015	0.014	2	113.2015	0.014	2	113.2015	0.014	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	3:4:4:2:	4:4:1:1:	4:2:	N[5]-3:C[6]-4:C[6]-4:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	109.1475	0.093	2	109.1475	0.009	2	109.1475	0.009	2	109.1475	0.009	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:2:4:1:	4:3:3:1:	4:3:	C[5,5,6]-4:N[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:3:3:2:	4:3:3:1:	4:3:	C[6]-4:C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C){1|H<1>,1|N<2>,4|C<3>}	116.6950	0.000	1	116.6950	0.000	1	116.6950	0.000	1	116.6950	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:3:4:2:	4:4:1:1:	4:2:	C[5,5,6]-4:C[6a]-3:C[6]-4:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5]){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]){3|C<3>,3|C<4>,3|H<1>}	107.5607	0.126	4	107.5607	0.016	4	107.5607	0.016	4	107.5607	0.016	4	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:N[5]-2:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	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)	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	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>}	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	113.7902	15.995	6	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]){2|C<3>,3|C<4>,3|H<1>}	114.0670	0.000	1	114.0670	0.000	1	111.5030	7.232	3	113.7902	15.995	6	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]){2|C<3>,2|H<1>,4|C<4>}	110.2210	2.145	2	110.2210	4.603	2	111.5030	7.232	3	113.7902	15.995	6	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C){1|N<3>,2|C<4>,3|H<1>}	117.6115	4.472	2	117.6115	20.003	2	117.6115	20.003	2	113.7902	15.995	6	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	N[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	106.0840	0.249	2	106.0840	0.062	2	106.0840	0.062	2	106.0840	0.062	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C){1|C<4>,2|H<1>,2|O<2>}	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	110.4060	0.858	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	110.4060	0.858	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:2:	4:3:4:1:	4:3:	C[6]-4:C[5]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5])	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5])	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	111.1720	4.706	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:N[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2	N[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]H)	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,2|O<2>}	N[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]H){2|C<4>,2|O<2>,4|H<1>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	111.1720	4.706	2	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:N[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5])	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5]){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5,6]C[6]O[5]){1|N<2>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.9020	0.259	4	111.9020	0.067	4	111.9020	0.067	4	111.9020	0.067	4	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:3:	3:4:3:1:	4:3:	C[6]-4:C[5,6]-4:N[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:3:	4:3:4:1:	4:2:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]){1|N<3>,2|C<4>,4|H<1>}	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:3:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:C[6a]-3:C[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[6a]C[6]H)(N[5]C[5])(COO)	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO){1|C<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:4:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]C)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]N){1|S<4>,2|C<4>,3|H<1>}	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5]){3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:3:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5]){3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.4240	0.000	1	110.4240	0.000	1	110.4240	0.000	1	110.4130	0.012	3	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.4075	0.152	2	110.4075	0.023	2	110.4075	0.023	2	110.4130	0.012	3	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5]){1|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5,6]C[5]C[6]2)(N[5]C[5]){2|C<4>,6|H<1>}	108.2565	0.879	2	108.2565	0.773	2	108.2565	0.773	2	108.4955	0.382	4	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|S<1>,3|C<4>,4|H<1>}	108.7345	0.383	2	108.7345	0.146	2	108.7345	0.146	2	108.4955	0.382	4	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){2|C<4>,3|C<3>,5|H<1>}	109.0950	0.000	1	109.0950	0.000	1	112.1736	3.482	5	112.0799	2.359	7	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[6]C[6]HH)2(C[5]O[5]O)(N[5]C[5]){1|N<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	112.9433	0.833	4	112.9433	0.693	4	112.1736	3.482	5	112.0799	2.359	7	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.8455	0.274	2	111.8455	0.075	2	111.8455	0.075	2	112.0799	2.359	7	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	113.7540	0.986	2	113.7540	0.972	2	114.3340	0.803	4	112.8803	4.782	7	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.9140	0.304	2	114.9140	0.092	2	114.3340	0.803	4	112.8803	4.782	7	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	111.8850	1.105	2	111.8850	1.220	2	110.9420	3.278	3	112.8803	4.782	7	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5,6]	C[6]	N[5]	4:4:3:2:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){2|C<4>,3|C<3>,5|H<1>}	109.0560	0.000	1	109.0560	0.000	1	110.9420	3.278	3	112.8803	4.782	7	111.0243	6.818	62	110.6321	6.877	75
474	466	960	0:SP3_SP2_SP3	C[5]	C[6]	N[5]	4:3:2:4:	3:4:3:1:	4:3:	C[6]-4:C[5]-3:N[5]-2:C-4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	107.5493	0.584	3	107.5493	0.341	3	107.5493	0.341	3	107.5493	0.341	3	107.5493	0.341	3	110.6321	6.877	75
474	466	960	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H){2|C<3>,2|C<4>,5|H<1>}	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.3265	0.184	2	107.3265	0.184	2
474	466	960	6:SP3_SP2_SP3	C[5,6]	C[6]	N[5,6]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H){2|C<3>,2|C<4>,5|H<1>}	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	107.3265	0.184	2	107.3265	0.184	2
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	O[5]	4:4:2:2:	4:4:2:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O[6]-2:O[5]-2:	C[5,3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5])	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H)	O[5](C[5,3x6]C[5,3x6]C[3x6]O[6])(C[5]C[5,6,6]O)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,3x6]C[5,3x6]C[3x6]O[6])(C[5]C[5,6,6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	109.9815	8.849	2	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[3x6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3)	O[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5]C[5,6]O)	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5]C[5,6]O){1|O<2>,2|H<1>,7|C<4>}	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	109.9815	8.849	2	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.1730	0.000	1	113.0045	0.057	2	113.0045	0.057	2	113.0045	0.057	2	112.1188	8.311	6	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.8360	0.000	1	113.0045	0.057	2	113.0045	0.057	2	113.0045	0.057	2	112.1188	8.311	6	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	3:4:4:2:	4:4:3:1:	4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.7610	0.000	1	112.3950	0.268	2	112.3950	0.268	2	112.3950	0.268	2	112.1188	8.311	6	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	3:4:4:2:	4:4:3:1:	4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.0290	0.000	1	112.3950	0.268	2	112.3950	0.268	2	112.3950	0.268	2	112.1188	8.311	6	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]N[5]O)	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]N[5]O){1|C<3>,3|C<4>,5|H<1>}	110.9570	6.067	2	110.9570	36.808	2	110.9570	36.808	2	110.9570	36.808	2	112.1188	8.311	6	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,3x6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5]C[5,6]O)	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5]C[5,6]O){1|O<2>,2|H<1>,7|C<4>}	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,3x6]	C[6,6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5]-3:	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	O[5](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(C[5]C[5]O)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[5](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	107.6450	0.000	1	107.0827	0.244	3	107.0827	0.244	3	107.0827	0.244	3	107.0827	0.244	3	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,3x6]	C[6,6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5]-3:	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	O[5](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(C[5]C[5]O)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	106.8015	0.117	2	107.0827	0.244	3	107.0827	0.244	3	107.0827	0.244	3	107.0827	0.244	3	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[3x6]	O[5]	4:4:3:2:	4:4:3:1:	4:3:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	O[5](C[5,5,6,6]C[5,5,6]C[3x6]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	O[5](C[5,5,6,6]C[5,5,6]C[3x6]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<4>,4|C<3>}	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6]	O[5,6]	4:4:4:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6])	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5,6]C[5,5,6]O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	O[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5,6]C[5,5,6]O){2|C<3>,3|H<1>,4|C<4>}	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:	C[5,5,6,6](C[3x5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,6]C[5,5,6]O)	C[5,5,6,6](C[3x5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,6]C[5,5,6]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	108.3097	13.406	3	108.3097	13.406	3	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]O)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]O){2|O<2>,3|C<4>,4|H<1>}	112.3840	0.000	1	112.3840	0.000	1	112.3840	0.000	1	108.3097	13.406	3	108.3097	13.406	3	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2	O[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<2>,2|O<2>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	O[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O){1|O<2>,2|H<1>,6|C<4>}	105.2950	0.000	1	105.2950	0.000	1	105.2950	0.000	1	108.3097	13.406	3	108.3097	13.406	3	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:2:1:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5])	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5]){2|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	109.9850	0.000	2	109.9850	0.000	2	110.9047	1.510	6	110.9047	1.510	6	110.1293	5.467	7	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:2:1:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]C)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.4840	0.000	2	112.4840	0.000	2	110.9047	1.510	6	110.9047	1.510	6	110.1293	5.467	7	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:2:1:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.2450	0.000	2	110.2450	0.000	2	110.9047	1.510	6	110.9047	1.510	6	110.1293	5.467	7	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6,6]	O[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	105.4770	0.000	1	105.4770	0.000	1	105.4770	0.000	1	105.4770	0.000	1	110.1293	5.467	7	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:3:2:4:	4:3:1:1:	4:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:3:2:4:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	108.6465	1.094	2	108.6465	1.197	2	107.8533	2.486	3	107.8533	2.486	3	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:3:2:4:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<4>,4|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2{1|N<3>,2|C<4>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	106.2670	0.000	1	106.2670	0.000	1	107.8533	2.486	3	107.8533	2.486	3	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:3:4:2:	4:3:4:1:	4:3:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:N[6]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[3x5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2	O[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]C[5]O)	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.5600	0.484	2	109.5600	0.234	2	109.5600	0.234	2	109.5600	0.234	2	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5]C[5,6]O){4|H<1>,6|C<4>}	107.5892	0.652	4	107.5892	0.426	4	107.5892	0.426	4	107.1435	0.444	8	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	107.1435	0.444	8	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]S)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5]){1|C<4>,1|S<1>,2|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]S){3|H<1>,5|C<4>}	106.5730	0.000	1	106.5730	0.000	1	106.5730	0.000	1	107.1435	0.444	8	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O){2|O<2>,4|C<4>,4|H<1>}	106.5695	0.217	2	106.5695	0.047	2	106.5695	0.047	2	107.1435	0.444	8	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:3:1:	4:3:	C[5,5,6]-4:C[6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:C[3]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H)	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H){3|C<3>,3|H<1>,6|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5,6]O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:3:	4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-3:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO)	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O){3|C<3>,3|C<4>,4|H<1>}	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O){4|H<1>,6|C<4>}	105.7627	0.589	4	105.7627	0.347	4	106.0558	0.747	8	106.0558	0.747	8	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O){4|H<1>,6|C<4>}	105.8183	0.250	3	105.8183	0.063	3	106.0558	0.747	8	106.0558	0.747	8	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,3|H<1>,6|C<4>}	107.9400	0.000	1	107.9400	0.000	1	106.0558	0.747	8	106.0558	0.747	8	107.2884	2.062	25	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	3:4:2:4:	4:4:3:1:	4:3:	N[5,6,6]-3:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3)	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	107.0405	0.325	2	107.0405	0.105	2	107.0405	0.105	2	107.0405	0.105	2	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	3:4:3:2:	4:4:3:1:	4:3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H)	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	107.1570	0.000	1	107.1570	0.000	1	107.1570	0.000	1	107.1570	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:3:2:2:	4:4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H)	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]O)	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:3:4:2:	4:4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H)	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	109.7050	0.000	1	109.7050	0.000	1	109.8670	0.052	2	109.8670	0.052	2	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:3:4:2:	4:4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H)	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,6|C<3>}	O[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	110.0290	0.000	1	110.0290	0.000	1	109.8670	0.052	2	109.8670	0.052	2	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:3:3:1:	4:3:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H)	O[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]O)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5]C[5,5]O){1|H<1>,2|O<2>,4|C<4>}	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:2:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	112.7180	0.832	2	112.7180	0.691	2	112.4336	1.535	5	112.4336	1.535	5	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:2:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	113.3860	0.000	1	113.3860	0.000	1	112.4336	1.535	5	112.4336	1.535	5	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:2:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	111.6730	1.795	2	111.6730	3.221	2	112.4336	1.535	5	112.4336	1.535	5	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H)	O[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,3x6]O)	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H){1|O<1>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|O<2>,6|H<1>}	O[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,3x6]O){1|H<1>,2|O<2>,4|C<4>}	110.2285	0.446	4	110.2285	0.199	4	110.2285	0.199	4	110.2285	0.199	4	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:2:	4:2:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5])	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:2:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	114.1530	0.000	1	114.1530	0.000	1	113.9506	0.947	5	113.9506	0.947	5	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:2:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,2|O<2>,4|C<4>}	113.9000	1.116	4	113.9000	1.246	4	113.9506	0.947	5	113.9506	0.947	5	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:4:	4:4:3:1:	4:3:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3: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]N[5]O)(O[5]C[5])(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]N[5]C)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]N[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:4:	4:4:3:2:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	O[5](C[5,6,6]C[5,4x6]C[3x6]C)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,4x6]C[3x6]C)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3)	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H)	O[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]N[5]O)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,9|H<1>}	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]N[5]O){2|H<1>,4|C<4>}	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:4:2:	4:4:3:3:	4:3:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5])	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO)	O[5](C[5,6,6]C[5,3x6]C[3x6]C[6,6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,3x6]C[3x6]C[6,6])(C[5]C[5,6,6]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	104.8920	0.000	1	104.8920	0.000	1	104.8920	0.000	1	104.8920	0.000	1	110.8300	6.934	28	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[4x6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,4x6]-4:C[4x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	O[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]O)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]O){2|H<1>,5|C<4>}	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:3:2:	4:4:4:1:	4:3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5]O)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H){1|O<2>,2|H<1>,4|C<4>,5|C<3>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:4:2:	4:4:3:4:	4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:4:2:	4:4:4:4:	4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){3|H<1>,5|C<4>}	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:3:1:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6])	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[6,6]CH)(C[5,6]C[5]C[6])(O[5]C[5])(O[6]C[6]){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:4:2:	4:4:2:1:	4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H){3|H<1>,4|C<3>,4|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){2|Br<1>,1|N<3>,2|C<4>,2|H<1>}	108.5660	0.000	1	107.6735	1.593	2	107.6735	1.593	2	109.2556	0.918	11	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O){1|Br<1>,1|N<3>,2|C<4>,3|H<1>}	106.7810	0.000	1	107.6735	1.593	2	107.6735	1.593	2	109.2556	0.918	11	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	109.4717	0.341	6	109.4717	0.116	6	109.6072	0.184	9	109.2556	0.918	11	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	110.1840	0.024	2	110.1840	0.001	2	109.6072	0.184	9	109.2556	0.918	11	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]O[5]C)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]O[5]C){2|H<1>,3|C<4>}	109.2670	0.000	1	109.2670	0.000	1	109.6072	0.184	9	109.2556	0.918	11	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:2:	4:3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4,6,6]-4:C[5,6,6]-4:O-2:O-2:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2	O[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5,6a]C[5,6,6a]C[6a]){2|C<3>,3|C<4>,3|O<2>}	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	116.4352	0.643	4	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	116.5170	0.000	1	116.1517	0.482	3	116.1517	0.482	3	116.4352	0.643	4	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	115.9690	0.874	2	116.1517	0.482	3	116.1517	0.482	3	116.4352	0.643	4	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]){1|H<1>,1|N<4>,1|O<1>,2|C<3>,3|C<4>}	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.3890	0.152	2	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|N<4>,2|C<3>,2|H<1>,3|C<4>}	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	115.3890	0.152	2	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:3:	4:4:1:1:	4:3:	C[5,3x6]-4:C[6,6]-4:O[5]-2:C-3:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO)	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	114.4715	0.435	2	114.4715	0.189	2	114.4715	0.189	2	114.4715	0.189	2	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:3:	4:4:4:1:	4:3:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,7|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a]){3|C<4>,3|H<1>,4|C<3>}	104.4750	0.000	1	104.4750	0.000	1	104.4750	0.000	1	104.4750	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:3:2:	4:4:2:1:	4:3:	C[4,6,6]-4:C[6,6]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5])	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]C[4]C[5])	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5]){4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]C[4]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	107.4600	0.536	2	107.4600	0.287	2	107.4600	0.287	2	107.4600	0.287	2	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:3:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,2|H<1>,6|C<4>}	107.6590	0.000	1	108.0810	0.356	2	108.2780	0.295	3	108.6123	0.643	4	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:3:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,2|H<1>,6|C<4>}	108.5030	0.000	1	108.0810	0.356	2	108.2780	0.295	3	108.6123	0.643	4	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:3:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	108.6720	0.000	1	108.6720	0.000	1	108.2780	0.295	3	108.6123	0.643	4	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:3:2:	4:4:4:4:	4:3:	C[6,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	108.6123	0.643	4	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:3:4:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]N[5,6]O)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]N[5,6]O){1|N<3>,1|O<2>,3|C<4>,4|H<1>}	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	107.2030	0.147	2	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:3:4:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,4|H<1>}	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	107.2030	0.147	2	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:3:4:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(B[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|B<3>,1|C<3>,2|C<4>,7|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(B[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H)	O[5](C[5,6,6]C[5,3x6]C[3x6]C[6,6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6,6]C[5,3x6]C[3x6]C[6,6])(C[5]C[5,6,6]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	108.1583	2.745	6	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O){5|C<4>,5|H<1>}	107.4220	0.119	2	107.4220	0.014	2	108.1437	1.569	3	108.1583	2.745	6	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|O<2>,4|H<1>,5|C<4>}	109.5870	0.000	1	109.5870	0.000	1	108.1437	1.569	3	108.1583	2.745	6	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O){1|O<2>,4|H<1>,5|C<4>}	109.6140	0.000	1	109.6140	0.000	1	107.5670	8.380	2	108.1583	2.745	6	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O){2|H<1>,6|C<4>}	105.5200	0.000	1	105.5200	0.000	1	107.5670	8.380	2	108.1583	2.745	6	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:3:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	106.5475	0.090	2	106.5475	0.008	2	106.5475	0.008	2	106.5475	0.008	2	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[3,5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[3,5,6,6]C[6,6]C[6])(C[5]C[5,5,6]O)	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	O[5](C[5,6,6]C[3,5,6,6]C[6,6]C[6])(C[5]C[5,5,6]O){1|O<2>,2|H<1>,7|C<4>}	108.7613	0.350	3	108.7613	0.123	3	108.7613	0.123	3	108.2386	0.755	5	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){3|H<1>,7|C<4>}	106.8530	0.000	1	107.4545	0.724	2	107.4545	0.724	2	108.2386	0.755	5	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){3|H<1>,7|C<4>}	108.0560	0.000	1	107.4545	0.724	2	107.4545	0.724	2	108.2386	0.755	5	109.8509	9.600	51	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-3:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]O){1|N<3>,3|C<4>,4|H<1>}	109.9265	0.306	2	109.9265	0.094	2	109.9265	0.094	2	108.6520	2.426	4	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){3|H<1>,5|C<4>}	106.7920	0.000	1	106.7920	0.000	1	107.3775	0.686	2	108.6520	2.426	4	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<3>,3|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.9630	0.000	1	107.9630	0.000	1	107.3775	0.686	2	108.6520	2.426	4	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{2|C<3>,2|O<2>,4|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	107.0860	0.000	1	107.0860	0.000	1	107.5495	0.430	2	107.5495	0.430	2	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.0130	0.000	1	108.0130	0.000	1	107.5495	0.430	2	107.5495	0.430	2	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:3:4:2:	4:4:2:1:	4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:3:4:2:	4:4:3:1:	4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O){1|C<3>,4|C<4>,4|H<1>}	107.0300	0.000	1	107.0300	0.000	1	108.3080	3.267	2	108.3080	3.267	2	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2{2|C<4>,3|C<3>,3|O<2>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	109.5860	0.000	1	109.5860	0.000	1	108.3080	3.267	2	108.3080	3.267	2	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:4:2:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	105.4180	0.000	1	105.4180	0.000	1	104.1195	3.372	2	104.1195	3.372	2	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:3:2:	4:4:2:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	102.8210	0.000	1	102.8210	0.000	1	104.1195	3.372	2	104.1195	3.372	2	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:2:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]N[5,6]O)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]N[5,6]O){1|N<3>,1|O<2>,3|C<4>,4|H<1>}	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:3:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	107.5035	0.316	2	107.5035	0.100	2	107.5035	0.100	2	107.5035	0.100	2	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[3,5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2	O[5](C[5,6,6]C[3,5,6,6]C[6,6]C[6])(C[5]C[5,5,6]O)	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,7|C<4>}	O[5](C[5,6,6]C[3,5,6,6]C[6,6]C[6])(C[5]C[5,5,6]O){1|O<2>,2|H<1>,7|C<4>}	107.2670	0.121	3	107.2670	0.015	3	107.2670	0.015	3	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){3|H<1>,7|C<4>}	104.9200	0.000	1	106.3260	3.954	2	106.3260	3.954	2	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){3|H<1>,7|C<4>}	107.7320	0.000	1	106.3260	3.954	2	106.3260	3.954	2	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O){1|O<2>,4|H<1>,5|C<4>}	106.7140	0.000	1	106.7140	0.000	1	107.6037	1.526	3	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]O[5]O){4|C<4>,4|H<1>}	108.0485	1.365	2	108.0485	1.864	2	107.6037	1.526	3	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(B[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|B<3>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(B[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O){5|C<4>,5|H<1>}	109.1275	0.978	2	109.1275	0.956	2	108.3627	2.233	3	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,4|H<1>}	106.8330	0.000	1	106.8330	0.000	1	108.3627	2.233	3	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O){1|O<2>,4|H<1>,5|C<4>}	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	107.6022	1.671	13	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6,6]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	104.0840	0.369	2	104.0840	0.136	2	104.0840	0.136	2	106.1478	4.579	5	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O){1|O<2>,4|H<1>,5|C<4>}	105.8950	0.000	1	105.8950	0.000	1	105.8950	0.000	1	106.1478	4.579	5	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	106.1478	4.579	5	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O){1|O<2>,4|H<1>,5|C<4>}	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	106.1478	4.579	5	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]O){2|H<1>,6|C<4>}	104.5840	0.000	1	104.5840	0.000	1	104.5840	0.000	1	104.5840	0.000	1	107.2639	3.032	34	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:4:	4:3:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3)	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5,6]O)	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5,6]O){3|H<1>,4|C<4>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	108.4625	10.710	4	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[3x6]	O[5]	4:4:3:2:	4:4:4:1:	4:3:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H)	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,7|C<3>}	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	108.6115	0.542	2	108.4625	10.710	4	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[3x6]	O[5]	4:4:3:2:	4:4:4:1:	4:3:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H)	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>,4|C<4>}	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	108.0910	0.000	1	108.0910	0.000	1	108.0910	0.000	1	108.6115	0.542	2	108.4625	10.710	4	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[3x6]	O[5]	4:4:3:2:	4:4:4:4:	4:3:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5])	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3)	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	O[5](C[5,6]C[3x6]C[5]C[6])(C[5]C[5]O){1|C<3>,4|C<4>,4|H<1>}	104.3450	0.000	1	104.3450	0.000	1	104.3450	0.000	1	104.3450	0.000	1	108.4625	10.710	4	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2: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])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(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])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>}	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:2:	4:4:2:1:	4:3:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:O[6]-2: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)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(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>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	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>}	113.0390	0.000	2	113.0390	0.000	2	113.0390	0.000	2	113.0390	0.000	2	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	3:4:3:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[3,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H)	O[5](C[5,6]C[3,5,6]C[6,6]H)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[3,5,6]C[6,6]H)(C[5]C[3,5]O){1|O<2>,2|C<4>,3|H<1>}	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	108.7576	2.085	5	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.1540	0.000	1	108.1540	0.000	1	108.1540	0.000	1	108.7576	2.085	5	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	108.7576	2.085	5	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2: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]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|Si<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|Si<4>,1|O<2>,2|C<4>,3|H<1>}	109.5590	0.000	1	109.5590	0.000	1	109.8440	0.162	2	108.7576	2.085	5	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2: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[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	110.1290	0.000	1	110.1290	0.000	1	109.8440	0.162	2	108.7576	2.085	5	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:3:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.7725	0.152	2	115.7725	0.023	2	115.7725	0.023	2	115.7725	0.023	2	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){2|C<3>,2|C<4>,7|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	115.0420	0.144	2	115.0693	0.013	3	115.0693	0.013	3	115.0693	0.013	3	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	115.1240	0.000	1	115.0693	0.013	3	115.0693	0.013	3	115.0693	0.013	3	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:2:	4:3:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	112.5085	20.435	2	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]O)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]O){1|O<2>,3|C<4>,3|H<1>}	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	112.5085	20.435	2	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.8690	0.000	1	114.8690	0.000	1	114.8690	0.000	1	114.8690	0.000	1	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	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)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H)	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>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6,6]O)(C[5]N[5]O){3|C<4>,3|H<1>}	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	107.4020	0.137	3	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]O){3|C<4>,5|H<1>}	107.2680	0.407	2	107.2680	0.166	2	107.2680	0.166	2	107.4020	0.137	3	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:3:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){2|H<1>,3|C<3>,5|C<4>}	108.5960	0.000	1	108.5960	0.000	1	108.2410	0.252	2	108.2410	0.252	2	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:3:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	107.8860	0.000	1	107.8860	0.000	1	108.2410	0.252	2	108.2410	0.252	2	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5]O){2|C<4>,2|H<1>,3|O<2>}	103.2420	0.000	1	103.2420	0.000	1	103.2420	0.000	1	103.2420	0.000	1	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:3:2:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){2|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	106.6233	3.193	3	106.6233	10.198	3	106.6233	10.198	3	106.6233	10.198	3	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){2|C<3>,3|H<1>,6|C<4>}	106.8100	0.052	2	106.4790	0.227	4	106.6274	0.192	7	106.6274	0.192	7	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){2|C<3>,3|H<1>,6|C<4>}	105.8020	0.000	1	106.4790	0.227	4	106.6274	0.192	7	106.6274	0.192	7	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){3|C<3>,3|H<1>,5|C<4>}	106.4940	0.000	1	106.4790	0.227	4	106.6274	0.192	7	106.6274	0.192	7	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){2|C<3>,4|H<1>,5|C<4>}	107.2460	0.000	1	106.8253	0.133	3	106.6274	0.192	7	106.6274	0.192	7	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){3|C<3>,3|H<1>,5|C<4>}	106.6150	0.027	2	106.8253	0.133	3	106.6274	0.192	7	106.6274	0.192	7	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:3:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){1|C<3>,3|H<1>,8|C<4>}	107.1370	0.000	1	107.1118	0.093	4	107.1118	0.093	4	107.1118	0.093	4	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){2|C<3>,3|H<1>,7|C<4>}	106.7290	0.000	1	107.1118	0.093	4	107.1118	0.093	4	107.1118	0.093	4	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){2|C<3>,3|H<1>,7|C<4>}	107.2905	0.258	2	107.1118	0.093	4	107.1118	0.093	4	107.1118	0.093	4	109.4190	12.728	40	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	2:2:4:4:	4:4:1:1:	3:4:	O[5]-2:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](O[5]C[5,6a])2(C[6]C[6]HH)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6](O[5]C[5,6a])2(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){2|C<3>,2|C<4>,5|H<1>}	109.6109	0.682	7	109.6109	0.466	7	109.6109	0.466	7	109.6109	0.466	7	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:4:3:	4:4:4:1:	3:4:	C[5,6]-3:O[5]-2:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	107.5741	0.715	20	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:4:3:	4:4:4:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,2|O<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	107.4288	0.557	19	107.4288	0.310	19	107.4288	0.310	19	107.5741	0.715	20	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:4:4:	4:3:2:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:2:4:4:	4:3:4:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:4:2:	4:4:1:1:	4:3:	C[5,6a]-3:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]C[5]){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	106.8060	2.691	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:3:4:2:	4:4:1:1:	4:3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.6460	0.000	1	105.6460	0.000	1	105.6460	0.000	1	106.8060	2.691	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){2|H<1>,3|C<4>}	114.1000	0.000	1	114.1000	0.000	1	114.1000	0.000	1	114.1058	6.228	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:3:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,2|C<3>,2|H<1>}	117.5980	0.000	1	117.5980	0.000	1	117.5980	0.000	1	114.1058	6.228	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1: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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(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])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	114.1058	6.228	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	114.1058	6.228	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:2:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:3:1:	4:3:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H)	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	117.2310	0.000	1	117.2310	0.000	1	117.2310	0.000	1	117.2310	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	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])	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2	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>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	108.6220	0.000	1	109.8415	0.835	4	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	110.1310	0.000	1	109.8415	0.835	4	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	110.8070	0.000	1	109.8415	0.835	4	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	109.8060	0.000	1	109.8415	0.835	4	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	110.9490	0.085	2	110.6037	0.125	6	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	110.1790	0.034	2	110.6037	0.125	6	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	110.6830	0.068	2	110.6037	0.125	6	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	109.6720	0.000	1	109.6720	0.000	1	110.2418	0.488	11	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1: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])(OC)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	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>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	111.1420	0.000	1	111.1420	0.000	1	109.8733	1.219	3	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1: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)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	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>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|H<1>,3|C<4>}	109.1280	0.000	1	109.1280	0.000	1	109.8733	1.219	3	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:H-1: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])(OC)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2	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>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,3|H<1>}	109.3500	0.000	1	109.3500	0.000	1	109.8733	1.219	3	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	C[5,6a]-3:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:Cl-1:Cl-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]O){2|Cl<1>,2|C<3>,2|C<4>}	104.5670	0.000	1	104.5670	0.000	1	104.5670	0.000	1	109.9218	2.458	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:2:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:O-2:H-1:	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])	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	O[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>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<4>}	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:3:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(NCC){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O){2|C<4>,3|H<1>}	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	3:4:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2{1|N<2>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	113.0010	0.000	1	113.0010	0.000	1	113.0010	0.000	1	109.5860	7.421	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:3:	C[5a,6]-3:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2	O[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2{2|H<1>,4|C<3>}	O[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,5|H<1>}	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	109.5860	7.421	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]O){1|C<3>,2|C<4>,3|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.5050	0.006	2	109.5860	7.421	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	109.5610	0.000	1	109.5610	0.000	1	109.5050	0.006	2	109.5860	7.421	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:1:1:	4:3:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,2|C<3>,2|O<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2{1|H<1>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:3:2:	4:4:4:1:	4:2:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-2:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H)	O[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H){1|N<2>,2|C<4>,3|C<3>}	O[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|H<1>,3|C<3>,3|C<4>}	106.7095	0.378	2	106.7095	0.143	2	106.7095	0.143	2	106.7095	0.143	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:2:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5])	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,5]C[6]2)(N[5]C[5,5])	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	O[5](C[5,6]N[5,5]C[6]2)(N[5]C[5,5]){1|N<3>,3|C<4>,4|H<1>}	109.1760	1.028	4	109.1760	1.056	4	109.1760	1.056	4	109.1760	1.056	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O)	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O){1|N<3>,3|C<4>,4|H<1>}	107.0827	0.841	6	107.0827	0.707	6	107.0827	0.707	6	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,5a]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,5a]C[6]2)(C[5]C[5,5a]O)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5,5a]C[6]2)(C[5]C[5,5a]O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	108.5265	0.121	2	108.5265	0.015	2	108.5265	0.015	2	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6,6a]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5])	C[6](C[5,6]C[5,6,6a]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6a]O[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O){1|C<4>,2|C<3>,2|H<1>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5]){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	110.3270	0.454	3	110.3270	0.206	3	110.3270	0.206	3	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){2|C<4>,3|H<1>}	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[5,6a]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O){2|C<3>,2|C<4>,4|H<1>}	107.2925	0.311	4	107.2925	0.097	4	107.2925	0.097	4	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H){1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H){1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	108.3402	3.303	19	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:2:1:	4:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	105.3220	0.000	1	105.3220	0.000	1	106.3115	1.958	2	106.3115	1.958	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:2:1:	4:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	107.3010	0.000	1	107.3010	0.000	1	106.3115	1.958	2	106.3115	1.958	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:2:2:	4:4:1:1:	4:3:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6])	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C){2|C<4>,4|H<1>}	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:2:4:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,3|C<3>,5|H<1>}	108.2444	0.983	5	108.2444	0.967	5	108.5040	0.528	12	108.8072	0.600	20	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:2:4:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.6894	0.476	7	108.6894	0.226	7	108.5040	0.528	12	108.8072	0.600	20	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:2:4:	4:4:1:1:	3:4:	C[6]-4:O[5]-2:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5]C[5,6a])2(C[6]C[6]HH)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6,6]HH)(O[5]C[5,6a])2(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){2|C<3>,2|C<4>,5|H<1>}	109.3365	0.826	4	109.3365	0.683	4	109.3365	0.683	4	108.8072	0.600	20	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:2:4:	4:4:1:1:	3:4:	C[6]-4:O[5]-2:O[5]-2:C[6]-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5]C[5,6a])2(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6,6]HH)(O[5]C[5,6a])2(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){2|C<3>,2|C<4>,5|H<1>}	109.1875	0.502	4	109.1875	0.252	4	109.1875	0.252	4	108.8072	0.600	20	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:2:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,3|H<1>}	108.6105	1.122	2	108.3733	0.798	3	108.3733	0.798	3	108.3733	0.798	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:3:2:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[6]C[6]HH)(O[6]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,3|H<1>}	107.8990	0.000	1	108.3733	0.798	3	108.3733	0.798	3	108.3733	0.798	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:2:4:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.3840	0.000	1	107.3840	0.000	1	109.1750	6.415	2	109.1750	6.415	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:2:4:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.9660	0.000	1	110.9660	0.000	1	109.1750	6.415	2	109.1750	6.415	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	107.6210	0.000	1	107.6440	0.001	2	107.6440	0.001	2	107.6440	0.001	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	107.6670	0.000	1	107.6440	0.001	2	107.6440	0.001	2	107.6440	0.001	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:3:2:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	109.5563	0.818	3	109.5563	0.669	3	109.8587	0.582	17	109.8587	0.582	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:3:2:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	109.9235	0.767	14	109.9235	0.588	14	109.8587	0.582	17	109.8587	0.582	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	108.9113	1.358	7	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	108.1245	0.594	4	108.3876	0.611	5	108.8052	1.535	6	108.9113	1.358	7	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.4400	0.000	1	108.3876	0.611	5	108.8052	1.535	6	108.9113	1.358	7	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.8930	0.000	1	110.8930	0.000	1	108.8052	1.535	6	108.9113	1.358	7	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:2:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:3:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,3x6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	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>}	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:4:	4:3:2:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:2:4:4:	4:4:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:3:1:1:	4:3:	C[6]-4:N[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]N[5]O[5]O[6])(C[6]O[6]O)(H)2	O[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]N[5]O[5]O[6])(C[6]O[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	O[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.9865	0.234	2	111.9865	0.055	2	111.9865	0.055	2	111.9865	0.055	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){2|C<4>,4|H<1>}	108.2420	0.488	2	108.2420	0.238	2	108.2420	0.238	2	108.2420	0.238	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:3:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	112.2360	0.793	4	112.1048	0.669	6	111.7253	1.119	8	111.7253	1.119	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:3:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	112.6330	0.000	1	112.1048	0.669	6	111.7253	1.119	8	111.7253	1.119	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:3:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|H<1>,1|N<2>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	111.0520	0.000	1	112.1048	0.669	6	111.7253	1.119	8	111.7253	1.119	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:3:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	110.5865	1.015	2	110.5865	1.030	2	111.7253	1.119	8	111.7253	1.119	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|H<1>,1|N<2>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	111.0020	0.000	1	111.0020	0.000	1	108.8900	8.921	2	108.8900	8.921	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	106.7780	0.000	1	106.7780	0.000	1	108.8900	8.921	2	108.8900	8.921	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:4:2:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	106.9847	0.651	4	106.9847	0.423	4	106.9055	0.325	6	106.9055	0.325	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:2:4:	4:4:4:2:	3:4:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	106.7470	0.528	2	106.7470	0.278	2	106.9055	0.325	6	106.9055	0.325	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:2:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.5485	1.821	2	109.5485	3.315	2	109.5485	3.315	2	109.5485	3.315	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:3:1:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	106.7593	1.736	3	106.7593	3.015	3	106.7593	3.015	3	106.7593	3.015	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.6705	0.600	2	107.6705	0.360	2	107.6644	1.267	8	107.6644	1.267	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.0270	0.000	1	109.0270	0.000	1	107.6644	1.267	8	107.6644	1.267	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	106.3130	1.106	2	106.3130	1.223	2	107.6644	1.267	8	107.6644	1.267	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.2500	0.000	1	108.1070	0.596	3	107.6644	1.267	8	107.6644	1.267	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|N<2>,3|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.5355	0.301	2	108.1070	0.596	3	107.6644	1.267	8	107.6644	1.267	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2	O[5](C[5,6]C[5,6]2C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]2C[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	111.9410	0.465	2	111.9410	0.216	2	111.9410	0.216	2	111.9410	0.216	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:1:1:	4:3:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,6,6]O){1|C<3>,3|C<4>,3|H<1>}	108.3265	0.182	2	108.3265	0.033	2	108.3265	0.033	2	112.3963	15.076	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,3|C<4>,3|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	112.3963	15.076	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	114.4210	0.000	1	114.4210	0.000	1	115.1977	9.303	3	112.3963	15.076	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	112.6110	0.000	1	115.5860	17.701	2	115.1977	9.303	3	112.3963	15.076	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	118.5610	0.000	1	115.5860	17.701	2	115.1977	9.303	3	112.3963	15.076	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:3:1:	4:3:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:4:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.4125	0.615	4	109.4125	0.378	4	109.4125	0.378	4	109.4125	0.378	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:3:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|S<4>}	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O){1|N<3>,1|O<2>,4|H<1>}	105.3890	0.000	1	105.3890	0.000	1	105.3890	0.000	1	109.1515	2.419	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|B<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.1460	0.000	1	109.1460	0.000	1	109.1460	0.000	1	109.1515	2.419	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|O<2>,4|H<1>}	109.9577	0.242	3	109.7795	0.083	6	109.7795	0.083	6	109.1515	2.419	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	109.5950	0.324	2	109.7795	0.083	6	109.7795	0.083	6	109.1515	2.419	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,3|H<1>,3|O<2>}	109.6140	0.000	1	109.7795	0.083	6	109.7795	0.083	6	109.1515	2.419	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:3:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]N[3,5]O)	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]N[3,5]O){1|O<2>,2|C<4>,2|H<1>}	107.6015	0.076	2	107.6015	0.006	2	107.6015	0.006	2	109.0128	1.840	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	108.9820	0.000	1	108.9820	0.000	1	109.7185	1.072	4	109.0128	1.840	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	111.2480	0.000	1	111.2480	0.000	1	109.7185	1.072	4	109.0128	1.840	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|O<2>,2|C<4>,3|H<1>}	109.2220	0.000	1	109.3220	0.020	2	109.7185	1.072	4	109.0128	1.840	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|O<2>,2|C<4>,3|H<1>}	109.4220	0.000	1	109.3220	0.020	2	109.7185	1.072	4	109.0128	1.840	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:2:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:C-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<4>,2|C<3>,4|H<1>}	108.2280	0.000	1	108.2280	0.000	1	109.1910	1.855	2	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	110.1540	0.000	1	110.1540	0.000	1	109.1910	1.855	2	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H){1|C<3>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){3|H<1>,4|C<3>}	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1: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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.5860	0.000	1	110.5860	0.000	1	109.9297	0.633	3	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	110.1580	0.000	1	110.1580	0.000	1	109.9297	0.633	3	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,5|H<1>}	109.0450	0.000	1	109.0450	0.000	1	109.9297	0.633	3	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){2|N<3>,3|H<1>}	109.7520	0.269	2	109.7520	0.072	2	109.7520	0.072	2	109.7278	0.937	12	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	111.8110	15.598	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	111.8110	15.598	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	111.8110	15.598	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:2:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2{1|N<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|H<1>,2|O<2>,3|C<3>}	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	109.5907	1.655	6	109.5907	2.740	6	109.5410	2.589	8	109.5410	2.589	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	110.8690	0.000	1	110.8690	0.000	1	109.5410	2.589	8	109.5410	2.589	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	107.9150	0.000	1	107.9150	0.000	1	109.5410	2.589	8	109.5410	2.589	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{1|C<4>,3|C<3>,6|H<1>}	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	109.2800	1.767	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	109.2800	1.767	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<3>,2|C<4>,3|H<1>}	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.9930	0.037	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|Br<1>,2|C<4>,3|H<1>}	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	108.9930	0.037	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C){1|C<3>,2|H<1>,3|C<4>}	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H){1|C<3>,1|N<3>,2|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O){1|Br<1>,1|H<1>,4|C<4>}	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,2|C<4>,4|H<1>}	108.2410	0.423	4	108.3687	0.216	6	108.3687	0.216	6	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|C<3>,2|C<4>,4|H<1>}	108.2090	0.000	1	108.3687	0.216	6	108.3687	0.216	6	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){1|N<2>,2|C<4>,3|H<1>}	109.0390	0.000	1	108.3687	0.216	6	108.3687	0.216	6	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O){1|C<3>,3|C<4>,3|H<1>}	110.3910	0.000	1	110.3910	0.000	1	112.8903	6.191	3	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1: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]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(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]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	115.3670	0.000	1	115.3670	0.000	1	112.8903	6.191	3	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	112.9130	0.000	1	112.9130	0.000	1	112.8903	6.191	3	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.0720	0.000	1	110.0720	0.000	1	109.3527	0.857	3	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	109.6780	0.000	1	108.9930	0.938	2	109.3527	0.857	3	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	108.3080	0.000	1	108.9930	0.938	2	109.3527	0.857	3	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){3|C<4>,3|H<1>}	112.7450	0.000	1	112.7450	0.000	1	110.5555	9.588	2	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	108.3660	0.000	1	108.3660	0.000	1	110.5555	9.588	2	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O){1|C<3>,3|C<4>,3|H<1>}	110.0750	0.000	1	111.1148	0.691	6	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O){3|H<1>,4|C<4>}	111.3228	0.735	5	111.1148	0.691	6	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{3|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	109.9230	0.000	1	109.9230	0.000	1	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<4>,2|O<2>,3|H<1>}	110.1190	0.000	1	110.1190	0.000	1	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.3690	0.000	1	110.5223	0.613	6	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	111.1670	0.453	2	110.5223	0.613	6	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	110.6290	0.000	1	110.5223	0.613	6	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	110.4010	0.810	2	110.5223	0.613	6	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	112.0850	0.000	1	112.0850	0.000	1	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(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])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	109.7780	0.402	3	109.7780	0.162	3	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	112.4630	0.000	1	112.4630	0.000	1	110.7235	0.921	19	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|Br<1>,2|C<4>,4|H<1>}	106.9770	0.000	1	106.9770	0.000	1	107.6346	1.342	5	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Br<1>,3|C<4>,3|H<1>}	107.5457	1.424	3	107.5457	2.028	3	107.6346	1.342	5	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|Br<1>,2|C<4>,3|H<1>}	108.5590	0.000	1	108.5590	0.000	1	107.6346	1.342	5	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Cl<1>,3|C<4>,3|H<1>}	106.2765	0.146	2	106.2765	0.021	2	106.2765	0.021	2	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O){1|Br<1>,3|C<4>,3|H<1>}	110.3450	0.000	1	110.3450	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	109.2950	0.000	1	109.2950	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	109.2238	0.533	5	108.7811	0.465	9	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	108.4450	0.000	1	108.7811	0.465	9	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	108.1553	0.399	3	108.7811	0.465	9	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	108.8810	0.000	1	108.8810	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,4|H<1>}	108.8220	0.000	1	108.8220	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<4>,1|N<3>,5|H<1>}	110.0280	0.000	1	110.0280	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	113.0160	2.816	2	113.0160	7.928	2	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(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])(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	111.8630	0.000	1	111.8630	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(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])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	109.5080	0.000	1	109.5080	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(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])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	109.0840	0.000	1	109.0840	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	114.4700	0.000	1	114.4700	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	108.8620	0.000	1	108.8620	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	110.0870	0.034	2	109.9093	0.947	6	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	109.8205	1.243	4	109.9093	0.947	6	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	111.5010	0.000	1	111.4565	0.004	2	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>}	111.4120	0.000	1	111.4565	0.004	2	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|S<4>,2|C<4>,3|H<1>}	109.7770	0.000	1	109.7770	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	114.7780	0.000	1	114.7780	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){2|C<4>,3|H<1>}	111.6835	0.412	2	111.6835	0.170	2	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S){2|C<4>,3|H<1>}	107.9780	0.491	2	107.9780	0.241	2	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.9720	0.000	1	107.9720	0.000	1	110.0122	3.502	36	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O){1|H<1>,1|I<1>,1|O<2>,4|C<4>}	105.9080	0.000	1	105.9080	0.000	1	107.9768	2.696	6	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|I<1>,3|C<4>,3|H<1>}	108.3906	1.444	5	108.3906	2.086	5	107.9768	2.696	6	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	106.2220	0.000	1	106.2220	0.000	1	107.5290	3.416	2	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<4>,5|H<1>}	108.8360	0.000	1	108.8360	0.000	1	107.5290	3.416	2	109.7593	4.170	89	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	110.7100	2.021	5	110.7100	4.083	5	110.7100	4.083	5	110.7100	4.083	5	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O){2|H<1>,2|O<2>,3|C<4>}	107.1000	1.844	2	107.1000	3.401	2	107.1000	3.401	2	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.5830	0.000	1	114.9230	5.511	2	114.9230	5.511	2	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O){1|O<2>,2|H<1>,4|C<4>}	113.2630	0.000	1	114.9230	5.511	2	114.9230	5.511	2	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.2290	0.000	1	109.2290	0.000	1	110.5810	1.621	7	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|O<2>,3|C<4>,3|H<1>}	111.9060	0.000	1	110.8063	1.518	6	110.5810	1.621	7	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.5864	1.239	5	110.8063	1.518	6	110.5810	1.621	7	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<2>,2|C<4>,4|H<1>}	108.7717	1.244	3	108.7717	1.548	3	108.7717	1.548	3	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|N<2>,2|C<4>,4|H<1>}	109.0575	0.573	2	109.0575	0.329	2	109.0575	0.329	2	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|O<2>,3|C<4>,3|H<1>}	110.1800	0.000	1	110.1800	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.0855	0.606	2	109.0855	0.367	2	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<4>,1|S<2>,2|O<2>,3|H<1>}	108.9913	1.214	3	108.9913	1.473	3	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	115.8195	0.402	2	115.8195	0.162	2	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	110.2640	0.000	1	110.2640	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	115.2540	0.000	1	115.2540	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	116.1070	0.000	1	116.1070	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.9220	0.000	1	108.9220	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.3660	0.000	1	116.3660	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	108.5060	0.016	2	108.5060	0.000	2	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.2850	0.000	1	109.2850	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]N)	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]N){1|C<4>,2|H<1>,2|O<2>}	114.3320	0.000	1	114.3320	0.000	1	111.4415	10.690	17	110.7581	8.360	35	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,4|H<1>}	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O){3|H<1>,4|C<4>}	109.3315	0.603	2	109.3315	0.364	2	109.3315	0.364	2	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O){3|H<1>,4|C<4>}	109.2788	0.440	4	109.2788	0.193	4	109.2788	0.193	4	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|N<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O){1|H<1>,5|C<4>}	110.4750	0.000	1	110.4750	0.000	1	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	108.1845	0.573	2	108.1845	0.329	2	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	110.4100	0.000	1	110.0145	0.079	4	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|C<4>,4|H<1>}	109.8140	0.000	2	110.0145	0.079	4	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){3|H<1>,4|C<4>}	110.0200	0.000	1	110.0145	0.079	4	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	109.3410	0.000	1	109.3410	0.000	1	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-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]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	113.4775	0.284	2	113.4775	0.080	2	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	109.2450	0.000	1	109.2450	0.000	1	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-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]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	111.4455	0.310	2	111.4455	0.096	2	110.4103	2.895	13	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H){1|O<2>,1|S<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S){2|H<1>,3|C<4>}	108.4920	1.310	2	108.4920	1.715	2	108.4920	1.715	2	109.9093	2.347	21	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O){1|H<1>,6|C<4>}	108.4760	0.274	2	108.4760	0.075	2	108.4760	0.075	2	108.4760	0.075	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]C){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]){2|H<1>,4|C<4>}	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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>}	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){2|C<4>,5|H<1>}	110.1370	0.000	1	110.1370	0.000	1	109.0890	2.197	2	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O){3|C<4>,4|H<1>}	108.0410	0.000	1	108.0410	0.000	1	109.0890	2.197	2	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){2|C<4>,6|H<1>}	109.0300	0.000	1	109.0300	0.000	1	108.5187	0.245	4	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C){2|C<4>,2|O<2>,4|H<1>}	108.5465	0.387	2	108.5465	0.150	2	108.5187	0.245	4	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O)	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]O){1|N<3>,3|C<4>,3|H<1>}	107.9520	0.000	1	107.9520	0.000	1	108.5187	0.245	4	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){3|C<4>,5|H<1>}	107.6240	0.000	2	107.6240	0.000	2	107.7043	0.019	3	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O){2|C<4>,6|H<1>}	107.8650	0.000	1	107.8650	0.000	1	107.7043	0.019	3	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]H){2|C<4>,6|H<1>}	109.9250	0.000	1	109.9250	0.000	1	109.4260	1.025	3	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]O)	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	109.1765	1.295	2	109.1765	1.676	2	109.4260	1.025	3	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]H)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]H){2|C<4>,6|H<1>}	108.9460	0.000	1	108.9460	0.000	1	109.3541	0.597	19	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5,5]O)	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5,5]O){1|O<2>,3|C<4>,4|H<1>}	109.1640	0.741	4	109.1640	0.549	4	109.3541	0.597	19	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	109.1030	0.714	6	109.5346	0.713	12	109.3541	0.597	19	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C){3|C<4>,4|H<1>}	109.9662	0.782	6	109.5346	0.713	12	109.3541	0.597	19	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]O)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]O){3|C<4>,5|H<1>}	108.8555	0.247	2	108.8555	0.061	2	109.3541	0.597	19	109.0602	0.798	32	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	3:4:4:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:N-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	107.5570	0.341	2	107.4137	0.120	3	107.4137	0.120	3	107.4137	0.120	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	107.1270	0.000	1	107.4137	0.120	3	107.4137	0.120	3	107.4137	0.120	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	106.8630	0.000	1	106.8630	0.000	1	106.9820	0.011	3	106.9820	0.011	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	107.0415	0.042	2	107.0415	0.002	2	106.9820	0.011	3	106.9820	0.011	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:C-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]CH)(O[5]C[5])(CHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){3|H<1>,4|C<4>}	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|O<2>,2|C<3>,4|H<1>}	108.4000	0.000	1	108.4000	0.000	1	107.8775	0.546	2	107.8775	0.546	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	107.3550	0.000	1	107.3550	0.000	1	107.8775	0.546	2	107.8775	0.546	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|O<2>,2|C<3>,4|H<1>}	104.7970	0.000	1	104.7970	0.000	1	104.7970	0.000	1	104.7970	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:3:1:	4:3:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	105.3310	0.000	1	105.3310	0.000	1	105.3310	0.000	1	107.4635	9.095	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:3:1:	4:3:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	107.4635	9.095	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]){3|C<3>,3|C<4>,3|H<1>}	106.8740	0.000	1	106.8740	0.000	1	106.8740	0.000	1	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]O){1|C<3>,2|C<4>,4|H<1>}	107.7025	0.333	2	107.7025	0.111	2	107.7025	0.111	2	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O){2|H<1>,3|C<4>}	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O){2|C<4>,5|H<1>}	112.3600	0.000	1	112.3600	0.000	1	110.4050	9.624	3	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|B<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O){2|C<4>,5|H<1>}	109.4275	3.676	2	109.4275	13.515	2	110.4050	9.624	3	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	107.6595	0.148	2	107.6595	0.022	2	110.1077	4.473	10	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	106.8040	0.000	1	106.8040	0.000	1	110.1077	4.473	10	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	111.6020	0.260	2	111.4063	1.410	6	110.1077	4.473	10	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){2|C<4>,5|H<1>}	111.3085	1.513	4	111.4063	1.410	6	110.1077	4.473	10	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]S)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]S){2|C<4>,3|H<1>}	110.5160	0.000	1	110.5160	0.000	1	110.1077	4.473	10	109.5529	5.117	17	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[4x5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	O[5](C[5,6]C[4x5,6,6]C[6]C)(C[5]C[3x5,3x6]O)	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[4x5,6,6]C[6]C)(C[5]C[3x5,3x6]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	104.6860	0.000	1	104.6860	0.000	1	104.6860	0.000	1	105.0823	0.555	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	104.6190	0.000	1	104.6190	0.000	1	105.2805	0.875	2	105.0823	0.555	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	105.9420	0.000	1	105.9420	0.000	1	105.2805	0.875	2	105.0823	0.555	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-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]CH)(O[5]C[5])(CHHI)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){3|C<4>,4|H<1>}	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	106.2025	0.233	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){2|C<3>,3|H<1>,6|C<4>}	106.3147	0.773	3	106.2322	0.426	4	106.1576	0.253	7	106.2025	0.233	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]2){3|C<3>,3|H<1>,5|C<4>}	105.9850	0.000	1	106.2322	0.426	4	106.1576	0.253	7	106.2025	0.233	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){2|C<3>,4|H<1>,5|C<4>}	105.7850	0.000	1	106.0580	0.093	3	106.1576	0.253	7	106.2025	0.233	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){3|C<3>,3|H<1>,5|C<4>}	106.1945	0.272	2	106.0580	0.093	3	106.1576	0.253	7	106.2025	0.233	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:1:	4:2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.1155	0.270	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:1:	4:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	108.1155	0.270	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:2:1:	4:2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	107.0823	1.364	3	107.0823	1.859	3	107.0823	1.859	3	106.6053	1.252	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:2:1:	4:2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	106.1283	0.767	3	106.1283	0.588	3	106.1283	0.588	3	106.6053	1.252	6	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:2:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	O[5](C[5,6]C[5,6,6]C[6a]C[6])(C[5]N[5]S)	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	O[5](C[5,6]C[5,6,6]C[6a]C[6])(C[5]N[5]S){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	104.3530	0.000	1	104.3530	0.000	1	104.3530	0.000	1	104.6175	0.140	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:2:1:	4:3:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	104.8820	0.000	1	104.8820	0.000	1	104.8820	0.000	1	104.6175	0.140	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:3:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	107.6820	0.654	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:3:1:	4:3:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]O){1|N<3>,3|H<1>,5|C<3>}	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.6820	0.654	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.8860	0.000	1	110.8860	0.000	1	109.8178	0.633	8	109.8178	0.633	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.9235	0.638	4	109.8578	0.327	5	109.8178	0.633	8	109.8178	0.633	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.5950	0.000	1	109.8578	0.327	5	109.8178	0.633	8	109.8178	0.633	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	109.1835	1.083	2	109.1835	1.172	2	109.8178	0.633	8	109.8178	0.633	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.0480	2.339	2	108.0480	5.471	2	108.0480	5.471	2	108.6817	3.940	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H)	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	108.6817	3.940	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:3:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.4870	0.107	3	109.2092	0.316	4	109.2092	0.316	4	109.2092	0.316	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:3:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.3760	0.000	1	109.2092	0.316	4	109.2092	0.316	4	109.2092	0.316	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:4:4:	4:3:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){2|C<3>,2|H<1>,3|C<4>}	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,1|N<3>,3|H<1>,5|C<3>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	105.9030	0.000	1	105.9030	0.000	1	105.9030	0.000	1	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	105.2353	0.548	3	105.3865	0.291	4	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,4|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	105.8400	0.000	1	105.3865	0.291	4	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.5750	0.786	2	109.5750	0.618	2	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	107.5445	0.541	2	107.5445	0.293	2	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	107.4240	0.119	2	107.4240	0.014	2	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){3|C<4>,5|H<1>}	108.0250	0.105	4	108.0250	0.011	4	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	108.8070	0.850	2	108.8070	0.722	2	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.6129	0.596	12	108.5046	0.342	16	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,3|C<4>,4|H<1>}	108.1795	0.472	4	108.5046	0.342	16	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<3>,2|C<4>,5|H<1>}	107.8270	0.033	2	107.8270	0.001	2	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(C[5]S[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]S[5]O)	C[5,6](C[6]C[6]HH)2(C[5]S[5]C)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]S[5]O){1|C<3>,2|C<4>,4|H<1>}	106.3370	0.880	2	106.3370	0.774	2	107.9097	1.500	36	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	110.1200	0.000	1	110.1200	0.000	1	110.5835	0.430	2	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C)	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.0470	0.000	1	111.0470	0.000	1	110.5835	0.430	2	107.9953	1.868	39	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:3:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.7793	0.607	4	110.1113	0.520	6	109.9603	0.591	8	109.9603	0.591	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:3:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	111.0670	0.000	1	110.1113	0.520	6	109.9603	0.591	8	109.9603	0.591	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:3:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.4840	0.000	1	110.1113	0.520	6	109.9603	0.591	8	109.9603	0.591	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:3:1:	3:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	109.5070	0.996	2	109.5070	0.991	2	109.9603	0.591	8	109.9603	0.591	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	111.6620	0.000	1	111.6620	0.000	1	111.6620	0.000	1	111.6620	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	106.8430	0.000	2	106.4280	0.230	4	106.4280	0.230	4	106.4280	0.230	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	106.0130	0.000	2	106.4280	0.230	4	106.4280	0.230	4	106.4280	0.230	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:4:4:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	109.7140	0.000	1	109.7140	0.000	1	108.0927	1.972	3	108.0927	1.972	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:4:4:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	107.2820	0.000	2	107.2820	0.000	2	108.0927	1.972	3	108.0927	1.972	3	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	106.8940	0.000	1	106.8940	0.000	1	107.3060	0.339	2	107.3060	0.339	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	107.7180	0.000	1	107.7180	0.000	1	107.3060	0.339	2	107.3060	0.339	2	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,7|C<4>}	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O){4|H<1>,6|C<4>}	101.8870	0.000	1	101.8870	0.000	1	101.8870	0.000	1	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|O<2>,3|C<4>,6|H<1>}	107.5825	0.111	2	107.5825	0.012	2	107.5825	0.012	2	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	106.4410	0.000	2	106.4410	0.000	2	105.0943	11.191	4	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	103.7475	5.130	2	103.7475	26.318	2	105.0943	11.191	4	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,3|C<4>,6|H<1>}	106.6540	0.000	1	106.6540	0.000	1	107.4113	2.227	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	109.4530	0.669	2	109.4530	0.447	2	107.4113	2.227	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	106.0850	0.000	1	106.0850	0.000	1	107.4113	2.227	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	106.3550	0.000	2	106.3550	0.000	2	107.4113	2.227	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){3|C<4>,5|H<1>}	107.5240	0.000	1	107.5240	0.000	1	107.4113	2.227	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	106.7695	0.171	6	106.7695	0.029	6	106.8483	0.068	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O){3|C<4>,6|H<1>}	107.3210	0.000	1	107.3210	0.000	1	106.8483	0.068	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	106.2210	0.051	6	106.2210	0.003	6	106.4006	0.228	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]N[5]O){3|C<4>,6|H<1>}	107.4780	0.000	1	107.4780	0.000	1	106.4006	0.228	7	106.5018	3.222	28	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,3|C<4>,6|H<1>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	106.0222	2.476	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,4|C<4>,5|H<1>}	104.6400	0.000	1	104.6400	0.000	1	105.2707	0.325	3	106.0222	2.476	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	105.5860	0.232	2	105.5860	0.054	2	105.2707	0.325	3	106.0222	2.476	4	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[5,5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H)	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]O){4|H<1>,6|C<4>}	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	107.6153	1.585	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	108.7470	0.000	2	108.7470	0.000	2	108.7470	0.000	2	107.6153	1.585	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){3|C<4>,5|H<1>}	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	107.6153	1.585	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){2|C<3>,3|H<1>,7|C<4>}	106.9880	0.489	3	106.9880	0.239	3	106.5800	0.825	4	107.6153	1.585	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){1|C<3>,3|H<1>,8|C<4>}	105.3560	0.000	1	105.3560	0.000	1	106.5800	0.825	4	107.6153	1.585	8	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,3|C<4>,6|H<1>}	105.9410	0.000	1	105.9410	0.000	1	105.9410	0.000	1	105.9410	0.000	1	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,4|C<4>,5|H<1>}	107.7130	0.000	1	107.7130	0.000	1	109.3622	1.274	5	109.3622	1.274	5	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	110.4260	0.000	2	109.7745	0.566	4	109.3622	1.274	5	109.3622	1.274	5	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]O){1|C<3>,3|H<1>,4|C<4>}	109.1230	0.000	2	109.7745	0.566	4	109.3622	1.274	5	109.3622	1.274	5	109.0184	4.713	606	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[3x6]	O[5]	4:4:2:1:	4:4:4:4:	4:2:	C[3x6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:N[5]-2:	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H)	O[5](C[5]C[3x6]C[5]H)(N[5]C[5])	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	O[5](C[5]C[3x6]C[5]H)(N[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:2:4:4:	4:4:3:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C-4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.0775	0.064	2	107.0775	0.004	2	107.0775	0.004	2	107.0775	0.004	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:3:4:1:	4:3:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-4:F-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F){2|H<1>,5|C<3>}	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|F<1>,3|C<3>}	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	3:4:2:1:	4:4:4:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O){1|H<1>,4|C<4>}	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	3:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	108.0680	0.000	1	108.0680	0.000	1	108.4765	0.334	2	109.4528	1.714	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	3:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<3>,3|H<1>}	108.8850	0.000	1	108.8850	0.000	1	108.4765	0.334	2	109.4528	1.714	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	3:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,3|H<1>}	111.1350	0.000	1	111.1350	0.000	1	110.4290	0.997	2	109.4528	1.714	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	3:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|N<3>,3|H<1>}	109.7230	0.000	1	109.7230	0.000	1	110.4290	0.997	2	109.4528	1.714	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:2:4:3:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]O[6]C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	110.0340	1.686	2	110.0340	2.842	2	109.8910	1.079	4	109.8910	1.079	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	110.1430	0.000	1	110.1430	0.000	1	109.8910	1.079	4	109.8910	1.079	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	O[5](C[5]C[5]C[6]H)(C[5]N[5]O)	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	109.3530	0.000	1	109.3530	0.000	1	109.8910	1.079	4	109.8910	1.079	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]2H)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<4>,3|H<1>}	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	111.8430	0.837	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]O)	C[5](C[6]C[6]2H)(N[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[5](C[5]C[6]N[5]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	111.8430	0.837	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:4:2:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	107.5840	0.000	1	107.5840	0.000	1	109.1520	4.917	2	109.1520	4.917	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:4:2:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>}	110.7200	0.000	1	110.7200	0.000	1	109.1520	4.917	2	109.1520	4.917	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:1:	4:4:4:4:	4:3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]2C)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|H<1>,3|C<4>}	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:2:	3:4:4:1:	3:4:	C[6]-4:C[5]-3:O[5]-2:O-2:	C[6,6a]-3:C[5]-4:C[6]-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)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	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>}	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:4:	3:4:3:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[5](C[5]C[5]C[6]C)(C[5]C[5]O){2|C<3>,3|H<1>}	107.0835	0.658	2	107.0835	0.433	2	107.0835	0.433	2	107.0835	0.433	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:2:4:	4:2:4:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:O[6]-2:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]O)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	O[5](C[5]C[5]C[6]C)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>}	107.8920	0.577	4	107.8920	0.333	4	107.8920	0.333	4	107.8920	0.333	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:3:4:2:	3:4:3:1:	4:3:	C[6]-4:C[5]-3:C-4:O[5]-2:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	3:4:4:4:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:2:2:4:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:O[6]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3)	O[5](C[5]C[5]C[6]H)(C[5]N[5]O)	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	107.6020	0.000	2	107.6020	0.000	2	107.6020	0.000	2	107.6020	0.000	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:2:4:3:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.3540	1.613	3	107.3540	2.603	3	106.9100	2.524	4	106.9100	2.524	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:2:4:3:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	105.5780	0.000	1	105.5780	0.000	1	106.9100	2.524	4	106.9100	2.524	4	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:3:2:4:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH)	O[5](C[5]C[5,6]C[6]H)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|N<2>,2|O<2>}	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5,6]C[6]H)(C[5]N[5,6]O){1|N<2>,2|C<4>,3|C<3>}	106.5755	1.467	2	106.5755	2.153	2	106.5755	2.153	2	106.5755	2.153	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:2:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	O[5](C[5]C[5]C[6]H)(C[5]O[5]O)	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]O){1|H<1>,2|C<4>,2|O<2>}	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:4:	4:3:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O){1|H<1>,4|C<4>}	111.0966	0.984	7	111.5555	2.516	8	111.5555	2.516	8	111.2629	2.972	9	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5]C[5,6]C[6]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	114.7680	0.000	1	111.5555	2.516	8	111.5555	2.516	8	111.2629	2.972	9	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]O){2|C<4>,5|H<1>}	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	111.2629	2.972	9	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	107.2075	1.643	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:S-2:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a])	O[5](C[5]C[5]C[6]H)(C[5]N[5]O)	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]N[5]O){1|S<2>,2|H<1>,3|C<4>}	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	107.2075	1.643	2	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:3:	3:4:3:1:	4:2:	C[6]-4:C[5]-4:O[5]-2:C-3:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:N[5]-2:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	O[5](C[5]C[5]C[6]C)(N[5]C[5])	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	O[5](C[5]C[5]C[6]C)(N[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[5](C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5]C[5]C[6]C)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:2:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	O[5](C[5]C[5]C[6]C)(N[5]C[5])	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3){3|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5]C[5]C[6]C)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	105.6840	0.000	1	105.6840	0.000	1	105.6840	0.000	1	105.6840	0.000	1	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	O[5](C[5]C[5]C[6]C)(C[5]N[5]O)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO){1|O<1>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	O[5](C[5]C[5]C[6]C)(C[5]N[5]O){1|S<4>,2|C<4>,3|H<1>}	106.0000	0.000	1	106.0000	0.000	1	107.5150	2.030	3	107.5150	2.030	3	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	O[5](C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	O[5](C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,3|H<1>}	107.7170	0.000	1	107.7170	0.000	1	107.5150	2.030	3	107.5150	2.030	3	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP2_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	O[5](C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,3|H<1>}	108.8280	0.000	1	108.8280	0.000	1	107.5150	2.030	3	107.5150	2.030	3	108.8705	4.126	56	109.0368	5.731	870
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	O[5,6]	4:2:4:4:	4:4:3:1:	4:4:	C[4x5,6,6]-4:O[5,6]-2:C[3x6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5,3x6]-4:	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<3>,5|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	O[5]	4:4:4:2:	4:3:4:1:	4:4:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH)	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,5|H<1>}	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H)	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO)	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO){5|C<4>,5|H<1>}	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[4x5,6,6]-4:O[5,6]-2:C[3x6]-4:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,3x6]-4:	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6])	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6]){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,8|C<4>}	113.5970	0.354	3	113.5970	0.126	3	113.4986	0.693	9	113.4986	0.693	9	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	113.9040	0.000	1	113.4493	1.051	6	113.4986	0.693	9	113.4986	0.693	9	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	114.0150	0.000	1	113.4493	1.051	6	113.4986	0.693	9	113.4986	0.693	9	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,7|C<4>}	113.5100	0.000	1	113.4493	1.051	6	113.4986	0.693	9	113.4986	0.693	9	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	113.9085	0.551	2	113.4493	1.051	6	113.4986	0.693	9	113.4986	0.693	9	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,2|O<1>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	111.4500	0.000	1	113.4493	1.051	6	113.4986	0.693	9	113.4986	0.693	9	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2	O[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]CC)	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]CC){1|O<2>,4|H<1>,5|C<4>}	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	113.3173	2.019	11	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H)	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH)	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,5|H<1>}	106.3980	0.000	1	106.3980	0.000	1	106.3980	0.000	1	105.5295	1.509	2	105.5295	1.509	2	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,3x6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO)	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO){5|C<4>,5|H<1>}	104.6610	0.000	1	104.6610	0.000	1	104.6610	0.000	1	105.5295	1.509	2	105.5295	1.509	2	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,4x6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:4:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H){1|C<3>,4|C<4>,5|H<1>}	108.2395	0.294	4	108.2395	0.086	4	108.2395	0.086	4	108.2395	0.086	4	108.2395	0.086	4	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,3x6]	C[3x6]	O[5,5]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,3x6]-4:C[3x6]-4:O[5,5]-2:O[5,6]-2:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	O[5,5](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,6])(C[5,5,6]C[5,6]2H)	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6]){2|O<2>,5|C<4>,6|H<1>}	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5,5](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,6])(C[5,5,6]C[5,6]2H){1|O<2>,3|H<1>,5|C<4>}	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,3x6]	C[3x6]	O[5,6]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,3x6]-4:C[3x6]-4:O[5,5]-2:O[5,6]-2:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[5,6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	O[5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,5])(C[5,6]C[5,5,6]CC)	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6]){2|O<2>,5|C<4>,6|H<1>}	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,5])(C[5,6]C[5,5,6]CC){1|O<2>,2|H<1>,4|C<4>}	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	O[5,5]	4:3:2:4:	4:4:3:4:	4:4:	C[5,5,6,6]-4:N[5,6,6]-3:O[5,5]-2:C[6,6]-4:	C[5,5,3x6]-4:C[6]-4:C[6]-3:C-4:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C)	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C){1|C<4>,2|N<3>,2|O<1>,4|C<3>,6|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,2|H<1>,5|C<4>}	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	113.7640	0.000	1	113.7640	0.000	1	113.7640	0.000	1	113.7640	0.000	1	113.7640	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	O[5,6]	4:4:2:3:	4:4:1:1:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	O[5,5]	4:4:2:3:	4:3:4:1:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	112.7630	0.000	1	112.7630	0.000	1	112.8240	0.007	2	112.8240	0.007	2	112.8240	0.007	2	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	O[5,5]	4:4:2:3:	4:3:4:1:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,3|C<4>,5|H<1>}	112.8850	0.000	1	112.8850	0.000	1	112.8240	0.007	2	112.8240	0.007	2	112.8240	0.007	2	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	O[5,6]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]C[5]H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]C[5]H){1|O<2>,4|H<1>,5|C<4>}	114.4020	0.000	1	114.4020	0.000	1	111.5740	15.995	2	111.5740	15.995	2	110.0707	14.778	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	O[5,6]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]O[5]H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]O[5]H){2|H<1>,6|C<4>}	108.7460	0.000	1	108.7460	0.000	1	111.5740	15.995	2	111.5740	15.995	2	110.0707	14.778	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	O[5,6]	4:4:3:2:	4:4:4:1:	4:2:	C[5,5,6]-4:C[6,6]-4:C[5,6]-3:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6]){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6]){1|C<3>,2|H<1>,5|C<4>}	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	110.0707	14.778	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	3:2:3:4:	4:3:1:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,6|H<1>}	113.6555	0.125	2	113.6555	0.016	2	113.6555	0.016	2	113.6555	0.016	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	3:2:3:4:	4:4:1:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,6|H<1>}	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	3:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,7|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,4|C<4>,4|H<1>}	113.4140	0.000	1	113.4140	0.000	1	113.4140	0.000	1	113.4140	0.000	1	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:2:4:	4:3:4:1:	4:4:	C[5,6,6]-4:O[5,5]-2:N[5,6]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6])	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	114.1440	0.000	1	114.1440	0.000	1	113.8135	0.218	2	113.8135	0.218	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2H){1|S<4>,2|C<4>,6|H<1>}	113.4830	0.000	1	113.4830	0.000	1	113.8135	0.218	2	113.8135	0.218	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:2:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|O<2>,2|C<4>,6|H<1>}	112.2743	0.169	3	112.2743	0.028	3	112.2743	0.028	3	112.2904	0.148	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:2:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,4|C<4>,4|H<1>}	112.8300	0.000	1	112.8300	0.000	1	112.3145	0.531	2	112.2904	0.148	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:2:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,2|C<4>,6|H<1>}	111.7990	0.000	1	111.7990	0.000	1	112.3145	0.531	2	112.2904	0.148	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	111.1525	0.489	2	110.8110	0.729	6	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.6402	1.010	4	110.8110	0.729	6	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	110.1213	0.295	6	110.1213	0.087	6	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	111.1075	0.541	2	110.9630	0.209	3	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.6740	0.000	1	110.9630	0.209	3	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	112.9250	0.000	1	112.9250	0.000	1	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	111.4235	0.077	2	110.9468	0.278	5	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	110.6290	0.417	3	110.9468	0.278	5	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	112.0770	0.000	1	112.0770	0.000	1	110.8281	0.700	22	110.8281	0.700	22	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	113.3570	0.000	1	113.3570	0.000	1	113.1085	0.124	2	113.1085	0.124	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|O<2>,2|O<1>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<4>,1|S<4>,7|H<1>}	112.8600	0.000	1	112.8600	0.000	1	113.1085	0.124	2	113.1085	0.124	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:4:2:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.9750	0.000	1	112.9750	0.000	1	113.5410	0.641	2	113.5410	0.641	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:3:4:	4:4:2:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	114.1070	0.000	1	114.1070	0.000	1	113.5410	0.641	2	113.5410	0.641	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:2:4:4:	4:3:1:1:	4:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-3:Cl-1:Cl-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,6]2)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2{2|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,6]2){2|Cl<1>,3|C<3>,3|C<4>,5|H<1>}	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	111.0760	0.083	2	111.2447	0.089	3	111.2447	0.089	3	111.2447	0.089	3	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	111.5820	0.000	1	111.2447	0.089	3	111.2447	0.089	3	111.2447	0.089	3	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:2:4:1:	4:4:	C[3,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:C-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH)	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H)	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH){1|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H){1|O<2>,4|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H){2|C<4>,2|O<2>,6|H<1>}	113.2100	0.437	2	113.2100	0.191	2	113.2100	0.191	2	113.2100	0.191	2	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	111.6225	0.370	2	111.6225	0.137	2	111.6225	0.137	2	111.6364	1.261	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	O[5,5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6]2H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5,5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	111.6364	1.261	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|F<1>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])2{1|F<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	112.8610	0.000	1	112.8610	0.000	1	112.5295	0.220	2	111.6364	1.261	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])2{1|F<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	112.1980	0.000	1	112.1980	0.000	1	112.5295	0.220	2	111.6364	1.261	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H)	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,2|O<2>,3|C<4>,5|H<1>}	106.7785	1.220	2	106.7785	1.488	2	106.3040	1.221	4	107.4062	6.990	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	105.0310	0.000	1	105.8295	1.275	2	106.3040	1.221	4	107.4062	6.990	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	106.6280	0.000	1	105.8295	1.275	2	106.3040	1.221	4	107.4062	6.990	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH){1|C<3>,1|O<2>,8|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{3|H<1>,4|C<4>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){2|C<4>,9|H<1>}	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	107.4062	6.990	5	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,5]	4:4:2:4:	4:4:4:4:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a]){1|S<4>,2|C<3>,4|C<4>,6|H<1>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	111.3066	4.078	55	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:2:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6]C[6]2)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6]C[6]2){3|C<3>,3|H<1>,5|C<4>}	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.0975	0.001	2	109.1137	1.537	7	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:2:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,4|C<4>}	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH){1|S<4>,3|C<4>,3|H<1>}	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	110.0975	0.001	2	109.1137	1.537	7	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,9|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	108.4035	3.594	2	109.1137	1.537	7	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2	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]H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,5|C<4>}	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]H){2|O<2>,4|H<1>,6|C<4>}	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	108.4035	3.594	2	109.1137	1.537	7	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	108.9313	1.291	3	109.1137	1.537	7	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	O[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[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	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>}	108.3115	0.527	2	108.3115	0.278	2	108.3115	0.278	2	108.9313	1.291	3	109.1137	1.537	7	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:2:1:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:N[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5])	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(N[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5]){2|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(N[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	111.3350	0.000	2	111.3350	0.000	2	111.3350	0.000	2	111.3350	0.000	2	110.4733	2.227	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	O[5]	4:4:3:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H)	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	110.4733	2.227	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:4:	C[5,6a]-3:C[5,5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5]HH)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|O<2>,3|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2{4|C<3>,4|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	107.7611	0.709	9	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5]	4:3:4:2:	4:4:2:1:	4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:N-2:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H)	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5]){3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	107.7055	0.350	2	107.7055	0.123	2	107.7055	0.123	2	107.7055	0.123	2	107.7611	0.709	9	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	107.7567	0.517	4	107.7611	0.709	9	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,9|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH){1|O<2>,4|C<4>,5|H<1>}	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.7567	0.517	4	107.7611	0.709	9	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]CC)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]CC){1|O<2>,3|C<4>,4|H<1>}	107.5480	0.040	2	107.5480	0.002	2	107.5480	0.002	2	107.7567	0.517	4	107.7611	0.709	9	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[4,5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH){2|O<2>,3|C<4>,5|H<1>}	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	107.7611	0.709	9	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|H<1>,7|C<4>}	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	107.7611	0.709	9	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5]	C[3x6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{1|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.5070	0.000	1	109.1310	0.106	3	109.2245	0.106	4	109.2245	0.106	4	109.2245	0.106	4	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5]	C[3x6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,5|C<4>,7|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{2|O<2>,5|C<4>,6|H<1>}	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){1|O<2>,3|H<1>,4|C<4>}	108.9430	0.016	2	109.1310	0.106	3	109.2245	0.106	4	109.2245	0.106	4	109.2245	0.106	4	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5]	C[3x6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5]){5|C<4>,8|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{3|O<2>,5|C<4>,5|H<1>}	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){2|H<1>,2|O<2>,4|C<4>}	109.5050	0.000	1	109.5050	0.000	1	109.2245	0.106	4	109.2245	0.106	4	109.2245	0.106	4	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5,5]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5])	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5]){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,4|O<2>,5|H<1>}	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	108.7810	0.025	2	109.3227	0.893	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5,5]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5])	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	O[5](C[5,5]C[5,5]C[6]O[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5]){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]C[6]O[5])(C[5]O[5]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	108.7810	0.025	2	109.3227	0.893	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,5]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5])	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H)	O[5](C[5,5]C[5,5]C[5]C[6])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5]){4|C<4>,6|H<1>}	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H){3|C<4>,3|O<2>,6|H<1>}	O[5](C[5,5]C[5,5]C[5]C[6])(C[5]O[5]CC){2|O<2>,3|C<4>,3|H<1>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	109.3227	0.893	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:3:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5])	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H)	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH)	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	112.1765	1.094	2	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:3:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H)	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	111.4370	0.000	1	111.4370	0.000	1	111.4370	0.000	1	112.1765	1.094	2	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	3:4:3:1:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	110.4445	0.531	2	110.4445	0.282	2	110.4445	0.282	2	110.1467	0.407	3	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	3:4:3:1:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	110.1467	0.407	3	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	3:4:4:1:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	111.2420	0.585	2	111.2420	0.343	2	111.2420	0.343	2	111.2420	0.343	2	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H){1|F<1>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	111.6500	0.000	1	111.6500	0.000	1	110.5870	0.889	3	110.5870	0.889	3	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H){1|F<1>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.0555	0.289	2	110.0555	0.084	2	110.5870	0.889	3	110.5870	0.889	3	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:3:3:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	109.6170	0.273	2	109.6170	0.074	2	109.6170	0.074	2	109.6170	0.074	2	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	111.2665	0.400	2	111.2665	0.160	2	110.9243	0.431	3	110.7810	0.793	13	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.2400	0.000	1	110.2400	0.000	1	110.9243	0.431	3	110.7810	0.793	13	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	111.3100	0.593	4	111.3100	0.351	4	110.7380	0.953	10	110.7810	0.793	13	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.0590	0.107	2	109.0590	0.012	2	110.7380	0.953	10	110.7810	0.793	13	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<4>,2|H<1>,3|C<3>}	111.4470	0.000	1	111.4470	0.000	1	110.7380	0.953	10	110.7810	0.793	13	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.8315	0.101	2	110.8583	0.007	3	110.7380	0.953	10	110.7810	0.793	13	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.9120	0.000	1	110.8583	0.007	3	110.7380	0.953	10	110.7810	0.793	13	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	110.1625	0.626	2	110.1625	0.392	2	110.1625	0.392	2	109.9788	0.185	4	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:3:4:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.7950	0.168	2	109.7950	0.028	2	109.7950	0.028	2	109.9788	0.185	4	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	110.4570	0.000	1	110.4570	0.000	1	110.5333	0.230	3	110.5333	0.230	3	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	110.5715	0.672	2	110.5715	0.452	2	110.5333	0.230	3	110.5333	0.230	3	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:2:	4:4:3:4:	4:4:	C[3x6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH)	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH){3|C<4>,5|H<1>}	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.3725	1.745	8	109.3725	3.045	8	109.3725	3.045	8	109.3725	3.045	8	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:2:3:	3:4:3:1:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5]	4:4:4:2:	4:4:4:3:	4:4:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO)	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO){1|Si<4>,3|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	110.2789	1.761	43	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[4x6]	O[5]	4:4:2:1:	4:4:3:4:	4:4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO)	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.6380	0.000	1	110.6380	0.000	1	111.2950	0.264	5	111.2950	0.264	5	111.0173	0.674	6	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[4x6]	O[5]	4:4:2:1:	4:4:3:4:	4:4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,8|H<1>}	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	111.4592	0.415	4	111.4592	0.172	4	111.2950	0.264	5	111.2950	0.264	5	111.0173	0.674	6	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[4x6]	O[5]	4:4:2:1:	4:4:4:3:	4:4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:C[6,6]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O)	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	111.0173	0.674	6	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C){2|C<4>,2|O<2>,3|H<1>}	113.1105	0.556	2	113.1105	0.310	2	113.1105	0.310	2	113.1105	0.310	2	113.2943	0.256	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:2:	4:3:4:1:	4:4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	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)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	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>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	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>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	113.2943	0.256	3	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	2:4:4:2:	4:4:4:1:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(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[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6]){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	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>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	2:4:4:2:	4:4:4:2:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	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[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	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>}	110.4205	0.350	2	110.4205	0.123	2	110.4205	0.123	2	110.4205	0.123	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	3:3:4:2:	4:4:4:4:	4:4:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5])	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH)	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH)	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5]){2|C<4>,2|O<1>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH){1|O<1>,2|C<3>,4|C<4>}	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:2:2:	4:3:2:3:	4:4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:4:2:	4:4:3:1:	4:4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	108.6660	0.577	2	108.6660	0.333	2	108.6660	0.333	2	108.6660	0.333	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:4:2:	4:4:4:1:	4:2:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H)	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6])	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6]){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	106.3025	0.480	2	106.3025	0.231	2	106.3025	0.231	2	106.3025	0.231	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:4:2:	4:4:4:1:	4:4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	3:4:4:2:	4:4:4:4:	4:4:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH)	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH){1|H<1>,1|O<2>,7|C<4>}	109.2885	0.443	2	109.2885	0.197	2	109.2885	0.197	2	109.2885	0.197	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:2:4:2:	4:4:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH){1|O<2>,3|H<1>,4|C<4>}	109.8985	0.018	2	109.8985	0.000	2	109.8985	0.000	2	109.8985	0.000	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:2:4:2:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){3|H<1>,5|C<4>}	109.6510	0.000	1	110.3370	0.941	2	110.3370	0.941	2	110.3370	0.941	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:2:4:2:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){3|H<1>,5|C<4>}	111.0230	0.000	1	110.3370	0.941	2	110.3370	0.941	2	110.3370	0.941	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2	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[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2{1|O<1>,2|H<1>,5|C<4>}	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>}	110.7660	0.000	1	110.7660	0.000	1	110.2695	0.493	2	110.2695	0.493	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:3:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2{1|O<1>,2|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5]){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	109.7730	0.000	1	109.7730	0.000	1	110.2695	0.493	2	110.2695	0.493	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H){4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	107.3000	0.000	1	107.3000	0.000	1	107.3000	0.000	1	109.5916	4.425	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	B[5,5]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	110.1630	0.069	2	110.1630	0.005	2	110.1630	0.005	2	109.5916	4.425	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:B[5,5]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	109.5916	4.425	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,2|O<2>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5]){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	109.5916	4.425	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	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>}	115.1470	0.000	1	115.1470	0.000	1	115.7130	0.641	2	115.7130	0.641	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.2790	0.000	1	116.2790	0.000	1	115.7130	0.641	2	115.7130	0.641	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	114.0672	0.249	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5]-4:C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.6130	0.000	1	114.6130	0.000	1	114.6130	0.000	1	114.0672	0.249	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	113.9890	0.775	2	113.9753	0.301	3	113.9753	0.301	3	114.0672	0.249	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	113.9480	0.000	1	113.9753	0.301	3	113.9753	0.301	3	114.0672	0.249	5	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[3x6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	110.6598	1.350	8	110.6598	1.823	8	110.6598	1.823	8	110.9503	2.221	12	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	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)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2	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>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	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>}	113.0260	0.805	2	113.0260	0.648	2	113.0260	0.648	2	110.9503	2.221	12	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	110.0370	0.252	2	110.0370	0.063	2	110.0370	0.063	2	110.9503	2.221	12	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,3x6]-4:C[5,6,6]-4:O-2: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)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	O[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>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O[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>}	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	109.1760	4.141	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	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)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	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>}	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	O[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>}	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	109.1760	4.141	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:2:	4:4:3:2:	4:4:	C[5,6]-4:C[6,6]-4:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH)	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH){1|C<3>,2|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:4:	4:3:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|N<3>,2|H<1>,3|C<4>}	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	109.2810	1.563	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:4:	4:3:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:N[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	109.2810	1.563	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[4,5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH)	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH){1|H<1>,2|O<2>,4|C<4>}	104.9990	0.000	1	104.9990	0.000	1	104.9990	0.000	1	106.9755	7.813	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|O<2>,3|C<4>,3|H<1>}	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	106.9755	7.813	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:3:2:	4:4:4:4:	4:2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	109.4315	0.139	2	109.4315	0.019	2	109.4315	0.019	2	109.4315	0.019	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:3:4:1:	4:4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH){1|C<3>,4|C<4>,5|H<1>}	107.6220	0.262	2	108.2180	1.100	3	108.2180	1.100	3	108.2180	1.100	3	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:3:4:1:	4:4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH){1|C<3>,4|C<4>,5|H<1>}	109.4100	0.000	1	108.2180	1.100	3	108.2180	1.100	3	108.2180	1.100	3	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[4,6,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5])	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5,5]C[5]3)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5]){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2{4|C<4>,4|H<1>}	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5,5]C[5]3){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	107.9070	1.209	3	107.9070	1.463	3	107.9070	1.463	3	107.9070	1.463	3	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H){1|O<2>,3|H<1>,7|C<4>}	110.5207	0.541	4	110.5207	0.293	4	110.5207	0.293	4	109.8639	0.868	9	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH){4|C<4>,6|H<1>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.8639	0.868	9	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5]){5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,9|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH){5|C<4>,5|H<1>}	110.0110	0.000	1	110.0110	0.000	1	110.0110	0.000	1	109.8639	0.868	9	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	109.4750	0.000	1	109.4750	0.000	1	109.2097	1.187	3	109.8639	0.868	9	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	110.1420	0.000	1	110.1420	0.000	1	109.2097	1.187	3	109.8639	0.868	9	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	108.0120	0.000	1	108.0120	0.000	1	109.2097	1.187	3	109.8639	0.868	9	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN){2|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	107.9820	0.744	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	107.9820	0.744	2	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){5|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,8|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH){1|O<2>,2|H<1>,7|C<4>}	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){4|H<1>,6|C<4>}	104.9120	0.000	1	104.9120	0.000	1	106.2251	0.687	14	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	107.3217	0.285	3	107.3217	0.081	3	106.2251	0.687	14	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	105.9920	0.395	2	105.9920	0.156	2	106.2251	0.687	14	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	105.9455	0.742	2	105.9308	0.195	4	106.2251	0.687	14	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	105.9160	0.187	2	105.9308	0.195	4	106.2251	0.687	14	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	106.2793	0.996	3	106.1420	0.737	4	106.2251	0.687	14	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	105.7300	0.000	1	106.1420	0.737	4	106.2251	0.687	14	106.3536	0.885	15	109.3223	6.161	84	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	2:3:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	106.8260	0.000	1	106.8260	0.000	1	107.3485	0.150	4	107.3485	0.150	4	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	2:3:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){3|C<3>,3|C<4>,7|H<1>}	107.6430	0.000	2	107.6430	0.000	2	107.3485	0.150	4	107.3485	0.150	4	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	2:3:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	107.2820	0.000	1	107.2820	0.000	1	107.3485	0.150	4	107.3485	0.150	4	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	2:3:4:4:	4:4:4:1:	4:4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6]){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	108.9760	0.000	1	108.9760	0.000	1	109.6497	0.474	3	109.6497	0.474	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){2|O<2>,5|C<4>,6|H<1>}	109.9865	0.517	2	109.9865	0.267	2	109.6497	0.474	3	109.6497	0.474	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	2:4:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:2:	4:4:1:1:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	110.6010	0.000	1	111.5260	0.839	3	111.5260	0.839	3	111.5260	0.839	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:2:	4:4:1:1:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	111.9885	0.629	2	111.5260	0.839	3	111.5260	0.839	3	111.5260	0.839	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:3:	4:4:1:1:	4:4:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:4:	4:4:1:1:	4:4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){3|C<4>,8|H<1>}	111.4400	0.344	2	111.4400	0.118	2	111.1040	0.398	3	111.1040	0.398	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:4:	4:4:1:1:	4:4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,8|H<1>}	110.4320	0.000	1	110.4320	0.000	1	111.1040	0.398	3	111.1040	0.398	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:3:2:4:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	111.4810	1.886	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:3:2:4:	4:4:1:1:	4:4:	C[5a,6]-3:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H){2|C<3>,3|C<4>,4|H<1>}	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	111.4810	1.886	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:Br-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	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)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	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>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	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>}	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:1:	4:3:2:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	114.4525	0.380	2	114.4525	0.144	2	114.4525	0.144	2	114.4525	0.144	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	111.3380	4.482	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	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[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	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>}	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	111.3380	4.482	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	115.2830	0.552	2	115.2830	0.304	2	115.2830	0.304	2	115.2830	0.304	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:2:	4:3:1:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6,6]-4:N[6]-3:H-1:H-1:	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)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	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>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	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>}	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:2:	4:4:1:1:	4:4:	C[3,5,6]-4:O[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6])	C[6](C[5,6,6]C[3,5,6]O[5,6]O[6])(C[6,6]C[6,6]2H)(H)2	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[3,5,6]O[5,6]O[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,7|C<4>}	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	108.5460	5.396	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:2:	4:4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){4|H<1>,6|C<4>}	106.8330	0.000	1	107.2240	0.306	2	107.2240	0.306	2	108.5460	5.396	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:2:	4:4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){4|H<1>,6|C<4>}	107.6150	0.000	1	107.2240	0.306	2	107.2240	0.306	2	108.5460	5.396	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:2:	4:4:2:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,4|C<4>,5|H<1>}	108.9300	0.730	2	108.9300	0.533	2	108.9300	0.533	2	108.9300	0.533	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:2:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:3:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	107.9530	0.000	1	108.4010	0.401	2	107.3327	0.860	6	107.3327	0.860	6	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<2>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	108.8490	0.000	1	108.4010	0.401	2	107.3327	0.860	6	107.3327	0.860	6	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	106.7985	0.398	4	106.7985	0.159	4	107.3327	0.860	6	107.3327	0.860	6	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:3:	4:4:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,6|H<1>}	109.8725	0.023	2	109.8725	0.001	2	109.8725	0.001	2	109.8725	0.001	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	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]C[6,6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(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]C[6,6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H){2|C<4>,7|H<1>}	109.0973	0.439	4	109.0973	0.193	4	109.0973	0.193	4	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|Br<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	107.6130	0.000	2	107.6385	0.001	4	107.6385	0.001	4	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,5|C<4>,5|H<1>}	107.6640	0.000	2	107.6385	0.001	4	107.6385	0.001	4	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,5]C[5]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,5]C[5]C[6]){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	106.3105	0.144	2	106.3105	0.021	2	106.7140	0.499	3	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2{1|C<3>,3|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]2){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	107.5210	0.000	1	107.5210	0.000	1	106.7140	0.499	3	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){2|O<2>,5|C<4>,6|H<1>}	108.5055	0.467	2	108.9633	0.738	3	108.9633	0.738	3	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	109.8790	0.000	1	108.9633	0.738	3	108.9633	0.738	3	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,3|C<4>,8|H<1>}	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.2110	1.046	17	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:2:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(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[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	O[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>}	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){4|H<1>,5|C<4>}	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>}	107.3925	0.230	2	107.3925	0.053	2	107.3925	0.053	2	107.3925	0.053	2	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:3:2:4:	4:4:4:1:	4:4:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5])	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5]){3|C<3>,4|H<1>,5|C<4>}	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,2|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	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>}	108.6640	0.000	2	108.6640	0.000	2	108.6640	0.000	2	107.9303	1.615	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	106.4630	0.000	1	106.4630	0.000	1	106.4630	0.000	1	107.9303	1.615	3	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH){3|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|O<2>,5|C<4>,6|H<1>}	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:4:4:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<3>,4|C<4>,6|H<1>}	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	109.2011	4.917	68	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2	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[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6]){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	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>}	110.4960	0.000	1	110.4960	0.000	1	110.2407	0.236	3	110.2407	0.236	3	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2	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[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	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>}	110.1130	0.611	2	110.1130	0.373	2	110.2407	0.236	3	110.2407	0.236	3	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	3:2:4:2:	4:4:1:1:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){2|C<3>,2|C<4>,3|H<1>}	110.7210	0.000	1	110.2440	0.331	3	110.2440	0.331	3	110.2440	0.331	3	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	3:2:4:2:	4:4:1:1:	4:4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){2|C<3>,2|C<4>,3|H<1>}	110.0055	0.566	2	110.2440	0.331	3	110.2440	0.331	3	110.2440	0.331	3	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	3:4:3:2:	4:4:1:1:	4:4:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH){2|C<3>,3|C<4>,3|H<1>}	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	110.1020	0.000	1	110.5887	0.780	3	110.5887	0.780	3	110.5887	0.780	3	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	110.8320	1.097	2	110.5887	0.780	3	110.5887	0.780	3	110.5887	0.780	3	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:2:4:2:	4:3:4:4:	4:4:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:C-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC){2|C<3>,3|C<4>,3|H<1>}	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){3|H<1>,5|C<4>}	112.0200	0.000	1	111.7805	0.115	2	111.7805	0.115	2	111.7805	0.115	2	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){3|H<1>,5|C<4>}	111.5410	0.000	1	111.7805	0.115	2	111.7805	0.115	2	111.7805	0.115	2	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:2:4:2:	4:4:2:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH){1|O<2>,3|H<1>,4|C<4>}	110.2240	0.301	2	110.2240	0.091	2	110.2240	0.091	2	110.2240	0.091	2	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:3:4:2:	4:4:4:1:	4:4:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H){4|C<4>,4|H<1>}	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>}	109.4613	0.818	3	109.4613	0.669	3	109.4613	0.669	3	109.4613	0.669	3	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H){1|C<3>,4|C<4>,5|H<1>}	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:2:3:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2){1|O<1>,2|H<1>,3|C<3>,3|O<2>,5|C<4>}	107.3010	0.000	1	107.3010	0.000	1	107.3010	0.000	1	107.3010	0.000	1	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:2:3:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H){2|H<1>,4|C<3>,4|C<4>}	107.6970	1.249	2	107.6970	1.559	2	107.6970	1.559	2	107.6970	1.559	2	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH){3|H<1>,5|C<4>}	106.6530	0.112	2	106.4550	0.124	3	106.4550	0.124	3	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<4>,4|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH){3|H<1>,5|C<4>}	106.0590	0.000	1	106.4550	0.124	3	106.4550	0.124	3	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){2|C<3>,3|H<1>,5|C<4>}	108.2080	0.000	1	108.4000	0.074	2	108.7255	0.182	4	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<2>,3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){2|C<3>,3|H<1>,5|C<4>}	108.5920	0.000	1	108.4000	0.074	2	108.7255	0.182	4	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	109.2070	0.000	1	109.2070	0.000	1	108.7255	0.182	4	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	108.8950	0.000	1	108.8950	0.000	1	108.7255	0.182	4	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){5|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,6|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH){1|O<2>,2|H<1>,7|C<4>}	107.5560	0.000	1	107.5560	0.000	1	107.5560	0.000	1	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH){4|C<4>,6|H<1>}	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5]){5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH){5|C<4>,5|H<1>}	108.9380	0.000	1	108.9380	0.000	1	108.1368	0.369	4	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH){1|C<3>,4|C<4>,5|H<1>}	107.8697	0.355	3	107.8697	0.126	3	108.1368	0.369	4	107.8675	0.935	13	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H){1|O<2>,3|H<1>,7|C<4>}	106.6245	0.189	4	106.6245	0.036	4	106.6245	0.036	4	106.7590	0.117	5	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	106.7590	0.117	5	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){4|H<1>,6|C<4>}	106.0410	0.000	1	106.0410	0.000	1	105.8086	0.296	7	105.8086	0.296	7	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	105.6890	0.246	2	105.7698	0.343	6	105.8086	0.296	7	105.8086	0.296	7	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	105.8102	0.738	4	105.7698	0.343	6	105.8086	0.296	7	105.8086	0.296	7	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	105.5080	1.454	12	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	O[5](C[5,6,6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6,6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	105.6070	0.346	3	105.6070	0.120	3	105.6070	0.120	3	105.5080	1.454	12	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	104.5100	0.000	1	104.5100	0.000	1	104.5100	0.000	1	105.5080	1.454	12	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	105.7967	1.712	3	105.7967	2.930	3	105.2816	1.524	7	105.5080	1.454	12	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	105.5180	0.000	1	104.8953	0.630	4	105.2816	1.524	7	105.5080	1.454	12	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	104.6877	0.828	3	104.8953	0.630	4	105.2816	1.524	7	105.5080	1.454	12	107.7686	4.689	59	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[3x6]	O[5]	4:4:2:1:	4:4:4:3:	4:4:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:2:2:1:	4:3:2:2:	4:4:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	110.4222	3.344	6	110.4222	11.183	6	110.4222	11.183	6	110.4222	11.183	6	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:3:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.7392	1.846	4	110.7392	3.407	4	110.7392	3.407	4	110.7392	3.407	4	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	3:4:3:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[6,6]-2:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.8225	0.122	4	115.3298	11.152	5	115.3298	11.152	5	115.3298	11.152	5	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.3590	0.000	1	115.3298	11.152	5	115.3298	11.152	5	115.3298	11.152	5	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:3:3:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]O[5]3)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]O[5]3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	115.4223	9.404	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.1180	0.000	1	113.1180	0.000	1	114.8138	10.786	5	115.4223	9.404	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	118.3815	0.023	2	115.2378	13.183	4	114.8138	10.786	5	115.4223	9.404	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.0940	0.132	2	115.2378	13.183	4	114.8138	10.786	5	115.4223	9.404	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(P[5]C[6a]N[5]O)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(P[5]C[6a]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	115.4223	9.404	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	112.4240	0.000	1	112.4240	0.000	1	110.8312	2.208	4	111.1694	4.188	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.3003	1.273	3	110.3003	1.621	3	110.8312	2.208	4	111.1694	4.188	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	111.1694	4.188	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.7510	0.000	1	109.7510	0.000	1	109.9185	0.056	2	111.1694	4.188	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.0860	0.000	1	110.0860	0.000	1	109.9185	0.056	2	111.1694	4.188	7	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6])	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H){2|O<2>,4|C<4>,5|H<1>}	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6]){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	114.0760	0.000	1	114.0760	0.000	1	114.0760	0.000	1	114.7752	0.682	4	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	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>}	114.1770	0.000	1	114.1770	0.000	1	114.1770	0.000	1	114.7752	0.682	4	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	115.4240	0.597	2	115.4240	0.356	2	115.4240	0.356	2	114.7752	0.682	4	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:3:	4:4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H){13|H<1>,1|C<3>,2|C<4>,2|N<3>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH){2|H<1>,5|C<4>}	108.7035	0.245	2	108.7035	0.060	2	108.7035	0.060	2	108.4733	0.093	4	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	108.2430	0.088	2	108.2430	0.008	2	108.2430	0.008	2	108.4733	0.093	4	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	3:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.3995	1.193	2	111.3995	1.423	2	111.3995	1.423	2	111.3995	1.423	2	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:3:4:4:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	108.9247	0.821	4	108.9247	0.674	4	108.9247	0.674	4	108.9247	0.674	4	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	110.2880	1.209	2	110.2880	1.462	2	110.2880	1.462	2	110.0735	1.038	12	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{10|H<1>,2|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.6410	1.329	4	110.6410	1.765	4	110.0837	1.273	8	110.0735	1.038	12	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	109.4285	0.484	2	109.4285	0.235	2	110.0837	1.273	8	110.0735	1.038	12	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.6245	0.927	2	109.6245	0.859	2	110.0837	1.273	8	110.0735	1.038	12	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,3|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.8180	0.907	2	109.8180	0.822	2	109.8180	0.822	2	110.0735	1.038	12	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{5|C<4>,7|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){3|H<1>,5|C<4>}	109.3635	1.037	2	109.3635	1.076	2	109.4573	0.703	6	109.5196	1.580	10	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.3260	0.911	2	109.5042	0.804	4	109.4573	0.703	6	109.5196	1.580	10	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.6825	1.207	2	109.5042	0.804	4	109.4573	0.703	6	109.5196	1.580	10	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2{11|H<1>,1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO){1|C<3>,3|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.4860	3.243	2	109.4860	10.516	2	109.4860	10.516	2	109.5196	1.580	10	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.7400	0.249	2	109.7400	0.062	2	109.7400	0.062	2	109.5196	1.580	10	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	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>}	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[3x6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<4>,3|O<2>,5|H<1>}	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	106.5645	0.076	2	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	106.5645	0.076	2	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,4|C<4>,5|H<1>}	109.9450	0.000	1	108.8705	2.309	2	108.8705	2.309	2	108.8705	2.309	2	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){5|C<4>,5|H<1>}	107.7960	0.000	1	108.8705	2.309	2	108.8705	2.309	2	108.8705	2.309	2	111.0084	8.818	75	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:3:4:2:	4:2:4:4:	4:2:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:S[6]-2:C-4:C-4:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2{1|O<2>,2|C<3>,3|C<4>}	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6]){1|S<2>,3|C<3>,3|C<4>}	110.4800	0.554	2	110.4800	0.307	2	110.4800	0.307	2	110.4800	0.307	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:3:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5])	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5]){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6]){2|C<4>,4|H<1>,5|C<3>}	109.6315	0.257	2	109.6315	0.066	2	109.6315	0.066	2	109.6315	0.066	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	111.9720	0.000	1	111.9720	0.000	1	111.4550	0.535	2	111.4550	0.535	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	110.9380	0.000	1	110.9380	0.000	1	111.4550	0.535	2	111.4550	0.535	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|F<1>,2|C<4>,2|H<1>}	108.7370	0.283	2	108.7370	0.080	2	108.9876	0.043	9	108.9183	0.127	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|F<1>,2|C<4>,2|H<1>}	109.0591	0.131	7	109.0591	0.017	7	108.9876	0.043	9	108.9183	0.127	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|I<1>,2|C<4>,2|H<1>}	108.7103	0.662	3	108.7103	0.438	3	108.7103	0.438	3	108.9183	0.127	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	110.3685	0.411	2	110.3685	0.169	2	110.3685	0.169	2	110.5577	1.341	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.5250	0.477	2	110.5250	0.227	2	110.5955	1.611	10	110.5577	1.341	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.2850	0.000	1	109.2850	0.000	1	110.5955	1.611	10	110.5577	1.341	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.5740	1.440	3	111.5740	2.074	3	110.5955	1.611	10	110.5577	1.341	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.2195	0.284	2	109.2195	0.080	2	110.5955	1.611	10	110.5577	1.341	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.2295	0.921	2	111.2295	0.849	2	110.5955	1.611	10	110.5577	1.341	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:2:2:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	110.9750	0.098	3	110.9820	0.007	4	110.9820	0.007	4	110.9820	0.007	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<3>,3|C<4>}	111.0030	0.000	1	110.9820	0.007	4	110.9820	0.007	4	110.9820	0.007	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:1:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	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])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:2:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	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)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H)	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>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H){2|C<4>,2|H<1>}	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>}	110.1603	1.496	3	110.1603	2.239	3	110.1603	2.239	3	110.1603	2.239	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:2:	4:4:4:3:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C-4:C-3:	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)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	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>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO){2|C<4>,2|H<1>}	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>}	109.1400	0.236	2	109.1400	0.056	2	109.1400	0.056	2	109.1400	0.056	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	112.3485	0.059	2	112.3485	0.003	2	112.3485	0.003	2	110.5053	5.910	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]N[6]C)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]N[6]C)(H)2{2|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	110.5053	5.910	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|C<4>,1|N<3>,3|H<1>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	110.5053	5.910	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	109.5720	0.000	1	109.5720	0.000	1	110.2637	0.212	6	110.2637	0.212	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|H<1>,3|C<4>}	110.2810	0.000	1	110.2622	0.032	4	110.2637	0.212	6	110.2637	0.212	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|H<1>,3|C<4>}	110.2560	0.219	3	110.2622	0.032	4	110.2637	0.212	6	110.2637	0.212	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	110.9610	0.000	1	110.9610	0.000	1	110.2637	0.212	6	110.2637	0.212	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH){2|O<2>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|C<3>,1|O<2>,5|C<4>}	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>}	109.3065	0.169	2	109.3065	0.029	2	109.3065	0.029	2	109.7570	0.510	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	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[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|O<2>,6|C<4>}	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>}	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	109.7570	0.510	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3){1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	109.7570	0.510	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.7570	0.510	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>}	109.5230	0.000	1	109.5230	0.000	1	109.4090	0.026	2	109.7570	0.510	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<4>,2|C<3>,2|H<1>}	109.2950	0.000	1	109.2950	0.000	1	109.4090	0.026	2	109.7570	0.510	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:3:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H){3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	110.4470	0.000	1	110.4470	0.000	1	110.9610	0.228	5	110.9610	0.228	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	110.7800	0.000	1	111.0895	0.194	4	110.9610	0.228	5	110.9610	0.228	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.6620	0.000	1	111.0895	0.194	4	110.9610	0.228	5	110.9610	0.228	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	111.4580	0.182	2	111.0895	0.194	4	110.9610	0.228	5	110.9610	0.228	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:4:3:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,4|C<4>}	108.6445	0.893	2	108.6445	0.798	2	108.5600	0.420	3	108.5600	0.420	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:4:3:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,4|C<4>}	108.3910	0.000	1	108.3910	0.000	1	108.5600	0.420	3	108.5600	0.420	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:2:4:	4:4:4:4:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2{1|O<2>,3|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){5|C<4>}	111.0310	0.216	4	111.0310	0.046	4	111.0310	0.046	4	111.0310	0.046	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	2:4:3:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5a]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6])	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6])	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6]){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6]){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:2:4:2:	4:4:1:1:	4:4:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,2|H<1>,3|C<3>}	108.8975	0.063	2	108.8975	0.004	2	109.3227	0.544	3	109.3227	0.544	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:2:4:2:	4:4:1:1:	4:4:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2{1|C<4>,4|C<3>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,2|H<1>,3|C<3>}	110.1730	0.000	1	110.1730	0.000	1	109.3227	0.544	3	109.3227	0.544	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:3:4:2:	4:4:4:1:	4:4:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	109.6510	1.359	2	109.6510	1.847	2	109.6510	1.847	2	109.6510	1.847	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	3:4:3:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:2:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	111.4660	0.306	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:2:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	111.4700	0.782	2	111.4700	0.612	2	111.4700	0.612	2	111.4660	0.306	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:2:4:1:	4:4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|N<3>,3|C<4>}	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,4|C<4>}	109.2620	0.433	2	109.2620	0.187	2	109.2620	0.187	2	109.2620	0.187	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:3:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<3>}	108.7720	0.000	1	108.6445	0.033	2	108.6445	0.033	2	110.1105	3.844	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:3:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<3>,3|H<1>}	108.5170	0.000	1	108.6445	0.033	2	108.6445	0.033	2	110.1105	3.844	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:3:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.1105	3.844	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:3:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	110.1105	3.844	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:3:2:1:	4:4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H)	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H){1|C<3>,2|H<1>,2|N<2>,4|C<4>}	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	112.4415	0.302	2	112.4415	0.091	2	112.4415	0.091	2	112.4415	0.091	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:3:4:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	111.3540	0.366	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:3:4:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.3540	0.366	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,2|H<1>,3|C<4>}	109.1785	0.739	2	109.1785	0.546	2	109.1785	0.546	2	112.4802	3.536	13	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){4|C<4>,5|H<1>}	111.7620	0.058	2	111.7620	0.003	2	111.7620	0.003	2	112.4802	3.536	13	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|H<1>,2|S<2>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	113.3020	0.000	2	113.3020	0.000	2	113.3734	1.483	9	112.4802	3.536	13	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	113.7400	1.411	2	113.7400	1.992	2	113.3734	1.483	9	112.4802	3.536	13	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	113.1590	1.541	2	113.2554	2.380	5	113.3734	1.483	9	112.4802	3.536	13	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	114.3695	0.708	2	113.2554	2.380	5	113.3734	1.483	9	112.4802	3.536	13	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	111.2200	0.000	1	113.2554	2.380	5	113.3734	1.483	9	112.4802	3.536	13	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:3:1:	4:4:	O[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H){1|H<1>,1|O<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:4:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO)	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,1|N<2>,1|S<4>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO){1|H<1>,3|C<4>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.8937	0.470	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:4:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H){1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.8937	0.470	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:1:	4:4:4:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	111.4820	0.000	2	111.4820	0.000	2	111.4820	0.000	2	110.8937	0.470	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[5,6,6a]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	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)	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2	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>}	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	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>}	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO){2|C<4>,3|H<1>}	111.9235	0.144	2	111.9235	0.021	2	111.9235	0.021	2	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	107.9540	0.000	1	109.0323	6.252	3	109.0323	6.252	3	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|N<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	111.8910	0.000	1	109.0323	6.252	3	109.0323	6.252	3	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){3|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	107.2520	0.000	1	109.0323	6.252	3	109.0323	6.252	3	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Br)(H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	108.1810	6.505	2	108.1810	42.320	2	108.1810	42.320	2	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	107.7900	5.387	2	107.7900	29.017	2	107.7900	29.017	2	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	108.2000	6.288	2	108.2000	39.534	2	108.2000	39.534	2	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.8100	2.827	2	109.8100	7.992	2	109.8100	7.992	2	109.5712	14.452	14	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:2:1:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.4095	2.287	2	108.4095	5.233	2	108.4095	5.233	2	108.6668	6.892	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:2:1:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.9240	3.896	2	108.9240	15.180	2	108.9240	15.180	2	108.6668	6.892	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:2:	4:4:4:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:P-4:H-1:	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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H)	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	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>}	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:3:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3){2|C<3>,5|C<4>,6|H<1>}	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C){1|O<1>,3|C<4>,4|H<1>}	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	109.1822	0.667	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	109.5350	0.000	1	109.5350	0.000	1	109.1435	0.307	2	109.1822	0.667	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|H<1>}	108.7520	0.000	1	108.7520	0.000	1	109.1435	0.307	2	109.1822	0.667	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:2:4:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	109.1822	0.667	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:3:1:	4:4:	C[5,6,6a]-3:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,8|C<3>}	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:3:2:	4:3:4:2:	4:4:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:2:1:1:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	108.1720	0.000	1	107.9205	0.127	2	107.9205	0.127	2	107.2610	1.784	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:2:1:1:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	107.6690	0.000	1	107.9205	0.127	2	107.9205	0.127	2	107.2610	1.784	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:2:1:1:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	105.5460	0.000	1	106.1733	0.297	3	106.1733	0.297	3	107.2610	1.784	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:2:1:1:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	106.4870	0.059	2	106.1733	0.297	3	106.1733	0.297	3	107.2610	1.784	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:2:1:1:	4:4:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH)	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH){1|C<3>,1|N<2>,3|O<2>,4|H<1>}	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	107.2610	1.784	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:3:1:1:	4:4:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:4:	C[5,6a]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5]){1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH){2|C<3>,2|C<4>,4|H<1>}	108.8580	0.218	4	108.8580	0.048	4	108.8580	0.048	4	108.7291	1.094	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:4:	C[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(P[5]C[5]OO)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(P[5]C[5]OO){1|C<3>,3|C<4>,4|H<1>}	107.6320	0.752	2	107.6320	0.566	2	107.6320	0.566	2	108.7291	1.094	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:4:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH)	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH){1|C<3>,3|C<4>,5|H<1>}	109.1730	2.468	2	109.1730	6.090	2	109.1730	6.090	2	108.7291	1.094	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	3:4:4:2:	4:4:1:1:	4:4:	N[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	108.9267	0.858	4	108.9267	0.736	4	108.9267	0.736	4	108.7291	1.094	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:1:	4:3:1:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2{1|N<3>,2|C<3>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H){1|H<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	110.8064	1.155	16	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H){1|H<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.6028	0.804	4	111.6028	0.647	4	110.9332	0.962	9	110.8064	1.155	16	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.3976	0.795	5	110.3976	0.632	5	110.9332	0.962	9	110.8064	1.155	16	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.5286	1.501	5	110.5286	2.254	5	110.5286	2.254	5	110.8064	1.155	16	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	110.8064	1.155	16	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:2:	3:4:1:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[5]C[5])2(O[6]C[6])	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2{1|N<3>,6|C<4>}	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	110.8243	1.041	12	110.8243	1.083	12	110.8243	1.083	12	110.8243	1.083	12	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:2:	4:4:1:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6])	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:4:	4:4:1:1:	4:2:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:2:4:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	108.6650	0.096	2	108.6650	0.009	2	108.6650	0.009	2	108.9920	0.325	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	108.9920	0.325	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:2:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2{1|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|H<1>,7|C<4>}	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:3:4:4:	4:4:	C[5,5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[6]H){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	115.7270	4.022	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:3:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|H<1>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	113.5030	0.000	1	114.8915	3.856	2	114.8915	3.856	2	115.7270	4.022	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:3:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	116.2800	0.000	1	114.8915	3.856	2	114.8915	3.856	2	115.7270	4.022	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{6|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	116.7260	0.000	1	116.7260	0.000	1	116.7260	0.000	1	116.7260	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:2:1:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,5,6]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	O[5](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O[5](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	106.3140	1.006	2	106.3140	1.011	2	106.3140	1.011	2	106.3140	1.011	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]C[6]H){1|O<2>,4|H<1>,6|C<4>}	110.4575	2.234	2	110.4575	4.990	2	110.4575	4.990	2	110.4575	4.990	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:2:2:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,8|C<4>}	114.8500	0.578	3	114.8500	0.334	3	114.9162	0.197	6	113.9421	3.509	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	115.1915	0.161	2	114.9823	0.144	3	114.9162	0.197	6	113.9421	3.509	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|H<1>,1|I<1>,4|C<4>}	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,7|C<4>}	114.5640	0.000	1	114.9823	0.144	3	114.9162	0.197	6	113.9421	3.509	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	110.3830	0.000	1	110.3830	0.000	1	111.0200	0.812	2	113.9421	3.509	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|O<2>,4|C<4>}	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	111.6570	0.000	1	111.6570	0.000	1	111.0200	0.812	2	113.9421	3.509	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2	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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	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>}	109.4600	0.543	2	109.4600	0.295	2	108.6087	2.322	3	108.5875	1.477	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	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>}	106.9060	0.000	1	106.9060	0.000	1	108.6087	2.322	3	108.5875	1.477	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5])	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{1|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	108.0555	1.083	2	108.0555	1.172	2	108.5663	1.369	3	108.5875	1.477	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.5880	0.000	1	109.5880	0.000	1	108.5663	1.369	3	108.5875	1.477	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	108.5210	1.371	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]O)(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	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>}	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	108.5210	1.371	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	108.6455	0.296	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(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](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	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>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.6455	0.296	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2{2|H<1>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	110.1465	2.739	2	110.1465	7.500	2	110.1465	7.500	2	109.4758	5.942	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.4565	1.593	2	109.0287	7.385	3	109.0287	7.385	3	109.4758	5.942	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	106.1730	0.000	1	109.0287	7.385	3	109.0287	7.385	3	109.4758	5.942	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:2:4:	4:4:	C[6]-4:N[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:S-2:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH)	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH){2|H<1>,4|C<4>}	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<4>}	109.7890	2.548	2	109.7890	6.494	2	109.7890	6.494	2	109.7890	6.494	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2{1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	110.2909	2.320	8	110.2909	5.381	8	110.2909	5.381	8	110.2909	5.381	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:2:2:	4:4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.0795	0.619	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:3:2:	4:3:2:2:	4:4:	C[6]-4:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH)	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH){2|C<4>,4|C<3>,5|H<1>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	108.0795	0.619	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:2:1:1:	3:4:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:3:4:2:	4:4:1:1:	3:4:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[5](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	107.4373	0.986	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5]){2|C<4>,4|H<1>,5|C<3>}	106.8645	0.049	2	106.8645	0.002	2	106.8645	0.002	2	107.4373	0.986	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|O<2>}	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C){1|O<2>,2|C<4>,4|H<1>}	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){2|C<4>,2|H<1>,3|O<2>}	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.8835	0.063	2	109.8835	0.004	2	109.6826	0.138	14	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,4|O<2>,5|H<1>}	109.0350	0.000	1	109.0350	0.000	1	109.6826	0.138	14	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|O<2>,4|H<1>}	110.5040	0.000	1	110.5040	0.000	1	109.6826	0.138	14	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.6722	0.331	6	109.6506	0.080	8	109.6826	0.138	14	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.5860	0.044	2	109.6506	0.080	8	109.6826	0.138	14	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.5560	0.000	1	109.5225	0.002	2	109.6826	0.138	14	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.4890	0.000	1	109.5225	0.002	2	109.6826	0.138	14	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.4137	1.858	4	110.4137	3.452	4	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|O<2>,4|H<1>}	110.1180	0.000	1	110.2375	0.029	2	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|O<2>,4|H<1>}	110.3570	0.000	1	110.2375	0.029	2	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){3|O<2>,4|H<1>}	110.6450	0.000	1	110.6450	0.000	1	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|O<2>,5|H<1>}	110.3000	1.035	2	110.3000	1.072	2	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	117.6110	0.000	1	117.6110	0.000	1	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){2|C<3>,2|O<2>,5|H<1>}	110.0660	0.000	1	110.0660	0.000	1	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	114.1885	0.296	2	114.1856	0.207	5	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	114.1837	0.608	3	114.1856	0.207	5	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	112.6220	0.000	1	112.6220	0.000	1	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	110.6900	0.585	2	110.6900	0.343	2	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	111.0070	0.263	3	111.0070	0.069	3	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	110.8817	0.875	8	110.8817	0.766	8	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.9215	0.319	2	109.8857	2.980	9	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	107.2725	0.875	2	109.8857	2.980	9	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.3180	0.000	1	109.8857	2.980	9	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	111.6170	0.000	1	109.8857	2.980	9	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	111.2160	0.585	3	109.8857	2.980	9	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<4>,1|O<2>,3|H<1>}	108.6780	0.000	1	108.6780	0.000	1	111.0927	4.105	40	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,1|S<2>,2|O<2>,4|H<1>}	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	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>}	111.8065	0.780	2	111.8065	0.608	2	111.6120	0.253	4	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|S<2>,3|H<1>}	111.4175	0.009	2	111.4175	0.000	2	111.6120	0.253	4	110.7629	3.199	60	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	110.2323	8.214	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]3)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	110.2323	8.214	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|H<1>}	112.2750	0.000	1	112.2750	0.000	1	110.0179	1.740	8	110.2323	8.214	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.0225	0.339	2	109.0225	0.115	2	110.0179	1.740	8	110.2323	8.214	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.9646	1.115	5	109.9646	1.244	5	110.0179	1.740	8	110.2323	8.214	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	110.2323	8.214	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-2:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.2683	2.379	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	109.2683	2.379	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:N-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	109.2683	2.379	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.8360	0.000	1	109.8360	0.000	1	108.9151	3.292	9	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|B<3>,1|C<4>,3|H<1>,3|O<2>}	108.8894	2.039	7	108.8894	4.156	7	108.9151	3.292	9	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|H<1>,3|O<2>}	108.1740	0.000	1	108.1740	0.000	1	108.9151	3.292	9	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.9235	0.032	2	109.9235	0.001	2	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.0820	0.000	1	109.0820	0.000	1	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.9657	0.644	4	109.9657	0.415	4	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7041	0.409	14	109.7244	0.161	15	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.0090	0.000	1	109.7244	0.161	15	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|O<2>,2|C<4>,2|H<1>}	109.1210	0.000	1	109.1210	0.000	1	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.4650	1.363	2	110.4650	1.859	2	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.1910	0.000	1	112.1910	0.000	1	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	116.8885	0.009	2	116.8885	0.000	2	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	108.3350	0.000	1	108.3350	0.000	1	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.0760	0.000	1	111.0384	1.619	8	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.3187	1.075	7	111.0384	1.619	8	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.1520	0.000	1	110.3617	1.350	7	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.4780	0.000	1	110.3617	1.350	7	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.5027	1.348	3	110.3617	1.350	7	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.1970	0.877	2	110.3617	1.350	7	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.9730	0.000	1	109.9730	0.000	1	110.4405	2.984	45	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	110.1867	3.186	56	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.8220	0.000	1	108.8220	0.000	1	108.5708	0.111	5	108.5708	0.111	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:2:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.5080	0.349	4	108.5080	0.121	4	108.5708	0.111	5	108.5708	0.111	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|O<2>,5|C<4>}	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>}	107.5370	0.000	1	107.5370	0.000	1	107.8837	0.699	11	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	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>}	107.8230	0.000	1	107.8230	0.000	1	107.8837	0.699	11	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.1480	0.000	1	107.1480	0.000	1	107.8837	0.699	11	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	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>}	108.0738	0.865	6	108.0738	0.749	6	107.8837	0.699	11	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	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>}	106.7980	0.000	1	106.7980	0.000	1	107.8837	0.699	11	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.9720	0.000	1	108.9720	0.000	1	107.8837	0.699	11	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	109.6350	0.062	2	109.6350	0.004	2	109.6350	0.004	2	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	114.2730	0.000	2	114.3380	0.013	3	110.6407	16.512	6	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	114.4680	0.000	1	114.3380	0.013	3	110.6407	16.512	6	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	107.1020	0.602	2	107.1020	0.363	2	110.6407	16.512	6	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	106.6260	0.000	1	106.6260	0.000	1	110.6407	16.512	6	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1: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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.9910	0.000	1	114.9910	0.000	1	109.6237	21.611	3	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	106.9400	0.098	2	106.9400	0.010	2	109.6237	21.611	3	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	111.6140	0.000	1	111.6140	0.000	1	111.6140	0.000	1	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	109.7270	0.000	1	109.7270	0.000	1	108.2407	1.993	3	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	106.9180	0.000	1	106.9180	0.000	1	108.2407	1.993	3	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,3|C<4>}	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	108.0770	0.000	1	108.0770	0.000	1	108.2407	1.993	3	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{6|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C){2|C<3>,3|H<1>,4|C<4>}	109.7585	0.565	2	109.7585	0.319	2	110.9200	4.207	3	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	113.2430	0.000	1	113.2430	0.000	1	110.9200	4.207	3	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,2|O<2>,4|H<1>}	110.3350	0.000	1	110.3350	0.000	1	112.3448	15.289	9	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	116.0360	0.000	1	115.2390	1.761	3	112.3448	15.289	9	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	114.8405	1.603	2	115.2390	1.761	3	112.3448	15.289	9	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH){3|H<1>,4|C<3>}	106.3670	0.000	1	106.3670	0.000	1	112.3448	15.289	9	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,4|C<3>}	108.0110	0.000	1	108.0110	0.000	1	112.3448	15.289	9	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,4|C<3>}	109.0390	0.000	1	109.0390	0.000	1	112.3448	15.289	9	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	115.8170	0.253	2	115.8170	0.064	2	112.3448	15.289	9	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|H<1>}	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	115.9200	0.000	1	115.5275	0.308	2	115.5275	0.308	2	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	115.1350	0.000	1	115.5275	0.308	2	115.5275	0.308	2	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	109.6820	0.000	1	109.6820	0.000	1	111.1098	11.320	5	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	117.0970	0.000	1	117.0970	0.000	1	111.1098	11.320	5	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.3080	0.000	1	109.3080	0.000	1	111.1098	11.320	5	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	110.1480	0.000	1	110.1480	0.000	1	111.1098	11.320	5	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H)	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H){1|Cu<6>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	109.3140	0.000	1	109.3140	0.000	1	111.1098	11.320	5	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2{1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<3>,3|H<1>}	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	110.3125	10.706	47	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H)	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.6110	0.000	1	115.6110	0.000	1	115.6110	0.000	1	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.9750	0.021	4	115.9750	0.000	4	112.8583	15.124	7	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8440	0.000	1	108.8440	0.000	1	112.8583	15.124	7	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.4740	0.000	1	108.4740	0.000	1	112.8583	15.124	7	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	108.7900	0.000	1	108.7900	0.000	1	112.8583	15.124	7	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	109.1540	0.000	1	109.8285	2.382	4	109.8285	2.382	4	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	111.2890	0.000	1	109.8285	2.382	4	109.8285	2.382	4	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	109.4355	2.061	2	109.8285	2.382	4	109.8285	2.382	4	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6a]-3:S[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	107.7200	0.757	2	107.7200	0.572	2	107.7200	0.572	2	111.1438	11.243	17	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:3:4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	115.1790	0.000	1	115.1340	0.004	2	115.1340	0.004	2	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	115.0890	0.000	1	115.1340	0.004	2	115.1340	0.004	2	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.5450	0.000	1	109.5450	0.000	1	108.3177	1.136	3	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	107.7040	0.112	2	107.7040	0.012	2	108.3177	1.136	3	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	108.8560	0.000	1	108.8560	0.000	1	111.3266	9.742	5	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	116.3620	0.000	1	116.3620	0.000	1	111.3266	9.742	5	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	112.3530	0.000	1	112.3530	0.000	1	111.3266	9.742	5	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.5860	0.000	1	109.5310	0.006	2	111.3266	9.742	5	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.4760	0.000	1	109.5310	0.006	2	111.3266	9.742	5	110.9995	10.100	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<2>,3|C<4>}	107.0870	0.000	1	107.0870	0.000	1	108.1805	0.538	4	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	108.4750	0.000	1	108.5450	0.010	3	108.1805	0.538	4	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	108.5800	0.116	2	108.5450	0.010	3	108.1805	0.538	4	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>}	107.0290	0.000	1	107.0290	0.000	1	107.9472	0.502	5	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.6335	0.238	2	108.2693	0.426	3	107.9472	0.502	5	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	107.5410	0.000	1	108.2693	0.426	3	107.9472	0.502	5	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	107.8990	0.000	1	107.8990	0.000	1	107.9472	0.502	5	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	108.2405	0.776	10	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<2>,4|H<1>,5|C<4>}	109.1575	0.453	4	109.0346	0.230	5	109.0346	0.230	5	109.0346	0.230	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	108.5430	0.000	1	109.0346	0.230	5	109.0346	0.230	5	109.0346	0.230	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-3:	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O)	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	108.7120	1.517	2	108.7120	2.303	2	108.7120	2.303	2	109.6550	1.530	9	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6]){1|C<3>,3|C<4>,6|H<1>}	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.6550	1.530	9	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	108.6570	0.000	1	108.6570	0.000	1	108.8815	0.101	2	109.6550	1.530	9	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5]){1|C<4>,4|C<3>,4|H<1>}	109.1060	0.000	1	109.1060	0.000	1	108.8815	0.101	2	109.6550	1.530	9	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,1|S<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]O){2|C<4>,3|H<1>}	110.6328	0.968	4	110.6328	0.937	4	110.6328	0.937	4	109.6550	1.530	9	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H)	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	112.9970	0.000	1	112.9970	0.000	1	112.9970	0.000	1	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H){1|C<3>,4|C<4>,4|H<1>}	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH){3|C<4>,4|H<1>}	108.1008	0.678	4	108.1008	0.460	4	109.1577	3.302	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.3430	0.000	1	110.3430	0.000	1	109.1577	3.302	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2{1|O<2>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	112.2000	0.000	1	112.2000	0.000	1	109.1577	3.302	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2{1|O<2>,2|H<1>,6|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	110.1760	0.288	4	110.1760	0.083	4	110.1760	0.083	4	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,6|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	109.1640	0.000	1	109.1640	0.000	1	108.1177	0.830	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{2|C<3>,7|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	107.6910	0.000	1	107.6910	0.000	1	108.1177	0.830	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	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>}	107.4980	0.000	1	107.4980	0.000	1	108.1177	0.830	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	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]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	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>}	112.2800	0.000	1	111.2015	2.326	2	110.1400	4.544	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	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]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	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>}	110.1230	0.000	1	111.2015	2.326	2	110.1400	4.544	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	108.0170	0.000	1	108.0170	0.000	1	110.1400	4.544	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2{5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	111.0255	0.199	2	111.0255	0.039	2	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH){1|O<2>,3|C<4>,3|H<1>}	111.5183	0.328	3	111.5183	0.108	3	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(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])(H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	109.7710	0.000	1	109.8813	0.055	3	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(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])(H){1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	109.9365	0.302	2	109.8813	0.055	3	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(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[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,3|C<4>,3|H<1>}	110.3060	0.000	1	110.3060	0.000	1	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	112.2610	0.000	1	112.2610	0.000	1	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	110.4110	0.126	2	110.4110	0.016	2	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){3|C<4>,4|H<1>}	110.4720	0.000	1	110.1380	0.223	2	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	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>}	109.8040	0.000	1	110.1380	0.223	2	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	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>}	109.8960	0.000	1	109.8960	0.000	1	110.6541	0.631	15	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5]){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	109.1780	2.285	2	109.1780	5.223	2	109.1780	5.223	2	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	111.6140	0.000	1	111.6140	0.000	1	111.6140	0.000	1	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	111.1320	0.000	1	111.1320	0.000	1	110.5992	9.674	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	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>}	108.7210	0.000	1	108.7210	0.000	1	110.5992	9.674	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	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>}	107.9510	0.000	1	107.9510	0.000	1	110.5992	9.674	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	108.6780	0.000	1	108.6780	0.000	1	110.5992	9.674	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.6960	0.000	1	110.6960	0.000	1	110.5992	9.674	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	116.4170	0.000	1	116.4170	0.000	1	110.5992	9.674	6	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:F-1:F-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2{2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|F<1>}	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,2|C<4>,2|H<1>}	110.2035	2.147	2	110.2035	4.612	2	110.2035	4.612	2	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,2|O<2>,4|H<1>}	109.4980	0.000	1	109.3343	0.386	7	109.5769	0.550	9	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,2|O<2>,4|H<1>}	109.3070	0.676	6	109.3343	0.386	7	109.5769	0.550	9	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H){1|N<3>,5|C<4>,7|H<1>}	110.4260	0.481	2	110.4260	0.231	2	109.5769	0.550	9	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|O<2>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|O<2>,4|C<4>,6|H<1>}	114.7110	0.000	1	114.7110	0.000	1	110.4742	8.208	4	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	108.7270	0.129	2	108.7270	0.017	2	110.4742	8.208	4	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	109.7320	0.000	1	109.7320	0.000	1	110.4742	8.208	4	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	109.2945	0.476	2	109.2945	0.226	2	111.1929	4.427	7	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H){4|C<4>,4|H<1>}	115.3820	0.000	1	115.3820	0.000	1	111.1929	4.427	7	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){4|C<4>,7|H<1>}	111.0948	0.716	4	111.0948	0.513	4	111.1929	4.427	7	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH){1|O<2>,3|C<4>,3|H<1>}	111.4180	0.000	1	111.4180	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<4>,4|H<1>}	110.0360	0.000	1	110.0360	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,1|C<4>,5|H<1>}	109.6730	0.000	1	109.6730	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,5|H<1>}	109.9050	0.000	1	109.9050	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	107.5750	0.000	1	107.5750	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1: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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(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])(H){1|Si<4>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|Si<4>,3|C<4>,3|H<1>}	114.5830	0.000	1	114.5830	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.8990	0.000	1	109.8990	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	109.6100	1.199	2	108.9453	2.044	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	107.6160	0.000	1	108.9453	2.044	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	110.7750	0.000	1	110.7750	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	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])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.7350	0.000	1	109.7350	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	113.0530	0.000	1	113.0530	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	116.0240	0.000	1	116.8013	0.747	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	116.6480	0.000	1	116.8013	0.747	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	117.7320	0.000	1	116.8013	0.747	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	108.9975	0.624	2	108.9975	0.390	2	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.0863	0.423	4	109.0863	0.179	4	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	110.4580	0.000	1	110.8585	0.321	2	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	111.2590	0.000	1	110.8585	0.321	2	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	112.1455	0.919	2	110.5007	8.538	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	107.2110	0.000	1	110.5007	8.538	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	111.4890	2.179	2	110.7407	4.055	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.2440	0.000	1	110.7407	4.055	3	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	110.8300	0.000	1	110.8300	0.000	1	110.7904	6.790	31	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO){1|C<3>,1|C<4>,3|H<1>}	107.7510	0.000	1	107.7510	0.000	1	108.0820	0.094	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.2475	0.153	2	108.2475	0.024	2	108.0820	0.094	3	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	107.1690	0.290	2	107.1690	0.084	2	108.4480	3.669	5	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|I<1>,2|C<4>,2|H<1>}	109.3007	2.138	3	109.3007	4.570	3	108.4480	3.669	5	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	110.1808	4.400	107	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	109.1825	0.186	2	109.1825	0.035	2	109.1825	0.035	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2: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]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	113.6410	0.165	2	113.6410	0.027	2	113.6410	0.027	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.7010	0.252	2	109.7010	0.063	2	109.7010	0.063	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.8200	0.000	1	110.8200	0.000	1	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.2020	0.000	1	110.2020	0.000	1	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.6640	0.000	1	109.6640	0.000	1	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.0950	0.000	1	112.0950	0.000	1	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.7480	0.000	1	110.7480	0.000	1	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	111.1920	0.464	2	111.1920	0.215	2	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	115.4790	0.000	1	115.4790	0.000	1	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.3090	2.657	2	111.6214	5.680	10	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.3985	1.119	2	111.6214	5.680	10	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.1332	1.719	6	111.6214	5.680	10	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.6500	0.593	2	110.7016	1.978	8	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.0522	1.452	6	110.7016	1.978	8	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H){2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.8743	2.499	4	112.8743	6.246	4	111.4905	4.110	30	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.2490	0.000	1	109.2490	0.000	1	109.3132	0.081	4	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3347	0.344	3	109.3347	0.118	3	109.3132	0.081	4	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|O<2>,5|H<1>}	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,3|H<1>,3|O<2>}	110.4000	0.000	1	110.4000	0.000	1	114.6410	35.972	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	118.8820	0.000	1	118.8820	0.000	1	114.6410	35.972	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	109.7510	0.000	1	109.7510	0.000	1	109.7015	0.005	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|H<1>,3|C<4>,3|O<2>}	109.6520	0.000	1	109.6520	0.000	1	109.7015	0.005	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	108.8750	0.000	1	108.8750	0.000	1	109.6455	1.187	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	110.4160	0.000	1	110.4160	0.000	1	109.6455	1.187	2	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	109.8266	3.372	7	109.8266	11.371	7	111.0268	7.707	23	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	115.4480	0.954	3	115.4480	0.909	3	111.0268	7.707	23	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	109.4857	2.275	4	109.4857	5.178	4	111.0268	7.707	23	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	111.0097	0.690	4	111.0097	0.476	4	111.0268	7.707	23	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.1505	0.032	2	111.6262	0.614	4	111.0268	7.707	23	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	111.1020	0.861	2	111.6262	0.614	4	111.0268	7.707	23	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	110.0000	0.000	1	110.0000	0.000	1	111.0268	7.707	23	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	107.0780	0.000	1	107.0780	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,4|H<1>}	107.2570	0.000	1	107.2570	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<4>,3|H<1>,3|O<2>}	108.3050	0.343	4	108.3050	0.118	4	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.8240	0.000	1	110.7150	1.588	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.6060	0.000	1	110.7150	1.588	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.3280	0.000	1	111.3280	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.7364	2.406	8	111.7364	5.790	8	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.7543	2.620	7	111.7543	6.864	7	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.4580	1.331	3	111.4580	1.772	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.2760	0.000	1	116.2760	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.8910	0.000	1	111.6625	0.104	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.4340	0.000	1	111.6625	0.104	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|C<4>,2|H<1>,3|O<2>}	112.0290	0.000	1	112.0290	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.5240	0.000	1	109.5525	0.002	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.5810	0.000	1	109.5525	0.002	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.6170	0.000	1	111.6170	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.4380	0.000	1	108.4380	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.9640	0.000	1	111.9640	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	113.1130	0.000	1	113.1130	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.0220	0.000	1	115.0220	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.6750	0.000	1	109.6750	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.6860	0.687	2	109.6860	0.472	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	111.8850	0.000	1	110.7133	1.361	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.7030	0.000	1	110.7133	1.361	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.5520	0.000	1	110.7133	1.361	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.4230	0.000	1	110.4230	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.0500	0.000	1	111.0500	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.1160	0.000	1	111.1160	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.2550	0.000	1	111.2550	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.3760	0.000	1	110.3760	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.4575	0.616	2	113.4575	0.379	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8860	0.000	1	110.4847	1.277	4	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.1280	0.000	1	110.4847	1.277	4	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.9625	0.637	2	110.4847	1.277	4	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.8770	0.000	1	109.5210	3.677	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.1650	0.000	1	109.5210	3.677	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.1380	0.000	1	112.8857	8.174	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.3340	0.000	1	112.8857	8.174	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	116.1850	0.000	1	112.8857	8.174	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.0325	0.889	2	111.0325	0.790	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.6785	0.052	2	111.6785	0.003	2	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.4820	0.000	1	110.4820	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.2210	0.000	1	111.2210	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.5905	0.080	2	110.4830	0.020	4	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.3755	0.093	2	110.4830	0.020	4	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.8080	0.000	1	111.8080	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.8680	0.000	1	111.0040	0.197	7	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.0267	0.481	6	111.0040	0.197	7	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.9260	0.783	3	110.9260	0.614	3	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O[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>}	112.2380	0.000	1	112.2380	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.6410	0.000	1	109.6410	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	110.0250	0.000	1	110.0250	0.000	1	111.0272	3.492	84	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7060	0.000	1	109.7060	0.000	1	109.7857	0.520	3	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.5430	0.000	1	109.8255	1.030	2	109.7857	0.520	3	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.1080	0.000	1	109.8255	1.030	2	109.7857	0.520	3	111.0692	4.559	160	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	110.6217	3.122	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	110.5830	0.000	1	110.5830	0.000	1	111.2580	1.035	4	110.6217	3.122	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.2550	0.000	1	110.2550	0.000	1	111.2580	1.035	4	110.6217	3.122	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.0970	0.485	2	112.0970	0.235	2	111.2580	1.035	4	110.6217	3.122	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	110.6217	3.122	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	110.6217	3.122	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	110.6217	3.122	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:N-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H)	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	112.4879	3.399	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	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>}	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	112.4879	3.399	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	110.9480	0.000	1	110.9480	0.000	1	113.3773	4.434	3	112.4879	3.399	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	114.6810	0.000	1	114.5920	0.016	2	113.3773	4.434	3	112.4879	3.399	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|Si<4>,1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	114.5030	0.000	1	114.5920	0.016	2	113.3773	4.434	3	112.4879	3.399	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	111.3230	0.000	1	111.3230	0.000	1	110.6045	1.032	2	112.4879	3.399	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.8860	0.000	1	109.8860	0.000	1	110.6045	1.032	2	112.4879	3.399	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	115.0427	27.834	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	117.9770	0.000	1	117.9770	0.000	1	117.9770	0.000	1	115.0427	27.834	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	115.0427	27.834	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	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[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	O[5](C[5,6]C[5,6,6]C[6]H)(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[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|H<1>,6|C<4>}	109.7639	0.466	10	109.7639	0.218	10	109.7639	0.218	10	109.9659	0.645	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2{1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	109.9659	0.645	11	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	3:4:1:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2{2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.7696	1.027	19	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.6725	1.027	4	109.6725	1.055	4	109.6725	1.055	4	109.7696	1.027	19	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.4098	1.235	4	110.4098	1.524	4	110.4098	1.524	4	109.7696	1.027	19	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.2692	1.183	4	109.2692	1.400	4	109.6081	0.944	10	109.7696	1.027	19	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.5030	1.317	2	109.8340	0.706	6	109.6081	0.944	10	109.7696	1.027	19	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.9995	0.700	4	109.8340	0.706	6	109.6081	0.944	10	109.7696	1.027	19	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	3:4:4:4:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.2922	0.951	4	109.2922	0.904	4	109.2922	0.904	4	109.2922	0.904	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(O[6]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2{2|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(O[6]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	110.7015	1.126	2	110.7015	1.269	2	110.7015	1.269	2	110.7015	1.269	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1: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])(OC)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2	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>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	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>}	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	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>}	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2{1|N<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	108.9975	1.794	2	108.9975	3.218	2	108.9975	3.218	2	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	108.6355	0.909	2	108.6355	0.826	2	109.6556	2.035	14	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.3227	1.721	6	109.3227	2.963	6	109.6556	2.035	14	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.2870	1.119	2	110.2870	1.251	2	109.6556	2.035	14	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	111.1930	1.079	2	111.1930	1.164	2	109.6556	2.035	14	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,1|S<1>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.5060	0.294	2	109.5060	0.087	2	109.6556	2.035	14	109.4193	2.000	18	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	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)	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	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>}	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H){1|N<3>,2|H<1>,3|C<4>}	O[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>}	104.7580	0.000	1	104.7580	0.000	1	104.7580	0.000	1	107.4466	2.219	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-3:O-2: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O[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>}	107.9260	0.611	2	107.9260	0.373	2	107.9260	0.373	2	107.4466	2.219	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2: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]HO)(O[5]C[5,6])(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(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]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O[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>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	107.4466	2.219	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	O[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>}	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	107.4466	2.219	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	106.4060	0.000	1	106.4060	0.000	1	107.1350	1.063	2	107.4466	2.219	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:2:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H){3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	107.8640	0.000	1	107.8640	0.000	1	107.1350	1.063	2	107.4466	2.219	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:3:4:4:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.4310	0.703	2	109.4310	0.494	2	109.4310	0.494	2	109.4310	0.494	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5])	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2	O[5](C[5,6]C[6]2O[5])(O[5]C[5])	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5]){1|C<3>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2{1|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(O[5]C[5]){1|C<3>,3|C<4>,4|H<1>}	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	111.2680	7.039	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2	O[5](C[5,6]C[6]2O[5])(O[5]C[5])	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5]){1|C<3>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(O[5]C[5]){1|C<3>,3|C<4>,4|H<1>}	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	111.2680	7.039	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	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)	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2	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>}	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	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>}	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[3,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	109.7090	0.782	2	109.7090	0.612	2	109.7090	0.612	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2	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>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<4>}	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>}	108.7340	0.572	4	108.7340	0.327	4	108.7340	0.327	4	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1: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)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2	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>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2{2|H<1>,2|O<2>,5|C<4>}	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>}	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2	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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2{3|O<2>,6|C<4>}	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>}	111.6065	0.839	2	111.6065	0.704	2	110.8337	0.765	7	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,8|C<4>}	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>}	109.3180	0.000	1	109.3180	0.000	1	110.8337	0.765	7	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|H<1>,8|C<4>}	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>}	110.8263	0.363	4	110.8263	0.132	4	110.8337	0.765	7	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2	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>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2{5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[5,6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,5|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.2630	1.654	8	109.2630	2.736	8	109.2630	2.736	8	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:N[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5])	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]N[5])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5]){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]N[5])(C[5,5]C[5,5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	107.6065	0.577	4	107.6065	0.333	4	107.6065	0.333	4	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,6]-4:H-1: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)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	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>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	108.3670	1.168	2	108.3670	1.365	2	108.3670	1.365	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2	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>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	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>}	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	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>}	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	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>}	108.0360	0.000	1	108.0360	0.000	1	108.7507	0.749	3	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	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>}	109.7130	0.000	1	109.7130	0.000	1	108.7507	0.749	3	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	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>}	108.5030	0.000	1	108.5030	0.000	1	108.7507	0.749	3	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(O[5]C[5])2	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,7|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2{1|C<3>,1|H<1>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.9720	2.776	2	109.9720	7.707	2	109.9720	7.707	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2{1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2{10|C<4>,1|C<3>,1|H<1>,1|O<2>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.0770	3.250	2	109.0770	10.562	2	109.0770	10.562	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O[5]C[5])2{1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,8|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.3955	2.467	2	109.3955	6.087	2	109.3955	6.087	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	110.0790	0.054	2	110.0790	0.003	2	109.8114	1.291	20	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,2|C<4>,5|H<1>}	108.6615	0.797	2	108.6615	0.635	2	109.8114	1.291	20	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,2|C<4>,5|H<1>}	109.7587	1.554	4	109.7587	2.413	4	109.8114	1.291	20	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	110.0595	1.273	8	110.0595	1.620	8	109.8114	1.291	20	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.4200	0.915	2	109.8090	0.674	4	109.8114	1.291	20	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|H<1>,6|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.1980	0.761	2	109.8090	0.674	4	109.8114	1.291	20	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2{1|H<1>,2|C<3>,7|C<4>}	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	109.0015	3.260	2	109.0015	10.631	2	109.0015	10.631	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]O)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H){2|H<1>,5|C<4>}	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>}	105.2880	0.000	1	105.2880	0.000	1	105.2880	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){5|C<4>,6|H<1>}	108.3596	0.498	24	108.3596	0.248	24	108.3596	0.248	24	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])2{1|O<2>,5|C<4>,6|H<1>}	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){2|C<4>,6|H<1>}	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){3|C<4>,5|H<1>}	108.2800	0.000	1	108.2800	0.000	1	109.2027	0.712	3	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.3930	0.000	1	109.3930	0.000	1	109.2027	0.712	3	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|O<2>,3|C<4>,3|H<1>}	109.9350	0.000	1	109.9350	0.000	1	109.2027	0.712	3	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{5|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){3|H<1>,5|C<4>}	108.8505	1.937	2	108.8505	3.751	2	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.6993	1.868	4	109.3605	1.786	10	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.1347	0.985	6	109.3605	1.786	10	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{10|H<1>,2|C<4>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	108.5407	0.864	3	108.5407	0.747	3	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	109.5455	2.457	2	109.5455	6.038	2	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,3|C<3>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.2180	1.479	2	109.4825	2.126	4	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.7470	1.977	2	109.4825	2.126	4	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2{11|H<1>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.7180	1.090	2	109.7180	1.189	2	109.2776	1.713	23	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2{2|H<1>,7|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	108.8860	1.003	2	108.8860	1.005	2	108.9495	0.590	6	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	108.9813	0.802	4	108.9813	0.644	4	108.9495	0.590	6	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.6330	0.199	2	109.6330	0.040	2	109.6330	0.040	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.8285	0.121	2	109.8285	0.015	2	109.8285	0.015	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2{6|H<1>,7|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.7650	2.747	4	110.7650	7.547	4	110.4123	5.621	6	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.7070	1.993	2	109.7070	3.971	2	110.4123	5.621	6	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2{3|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.2255	0.740	2	109.2255	0.548	2	109.2255	0.548	2	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	111.4340	1.822	2	111.4340	3.318	2	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,5|H<1>}	108.2270	0.000	1	108.2270	0.000	1	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{4|H<1>,6|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.8395	1.948	2	109.8395	3.795	2	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.5337	0.688	6	110.5337	0.474	6	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.2385	2.821	2	110.2385	7.956	2	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.7055	1.774	2	110.1922	0.819	6	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.9355	0.228	4	110.1922	0.819	6	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5045	0.344	2	109.3838	1.700	10	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<1>,2|H<1>,6|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.5700	1.868	2	109.3838	1.700	10	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,6|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.0385	0.892	2	109.3838	1.700	10	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.1725	1.791	2	109.3838	1.700	10	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	108.6335	1.841	2	109.3838	1.700	10	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2{2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	109.5180	0.167	2	109.5180	0.028	2	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.0735	2.036	2	109.4083	1.999	4	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.7430	1.185	2	109.4083	1.999	4	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5])	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	110.6345	3.979	2	110.6345	15.832	2	109.9292	2.064	37	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5])	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5]){1|C<3>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2{1|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C){2|C<3>,2|C<4>,4|H<1>}	108.2330	0.000	1	108.2330	0.000	1	109.4385	4.317	13	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2{1|O<1>,2|N<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.0035	2.187	4	110.0035	4.781	4	109.4385	4.317	13	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{1|P<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.3460	2.870	4	109.3066	4.942	8	109.4385	4.317	13	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{1|P<4>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|Pd<4>,1|C<3>,5|C<4>,6|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.2672	1.814	4	109.3066	4.942	8	109.4385	4.317	13	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5]){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	110.2535	2.623	2	109.6120	3.874	4	109.6761	3.204	8	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5]){1|N<3>,1|O<1>,4|C<4>,5|H<1>}	108.9705	1.760	2	109.6120	3.874	4	109.6761	3.204	8	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5]){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	109.1095	1.674	2	109.7403	3.591	4	109.6761	3.204	8	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	110.3710	2.526	2	109.7403	3.591	4	109.6761	3.204	8	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	110.5520	1.530	4	109.8761	1.983	58	109.8437	1.856	78	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,3|C<4>,6|H<1>}	109.0245	0.463	4	109.8761	1.983	58	109.8437	1.856	78	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	109.8165	1.408	42	109.8761	1.983	58	109.8437	1.856	78	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){4|C<4>,7|H<1>}	110.2766	1.602	8	109.8761	1.983	58	109.8437	1.856	78	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H){1|O<2>,4|C<4>,6|H<1>}	109.7498	1.248	20	109.7498	1.558	20	109.8437	1.856	78	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.2660	3.096	2	109.2660	9.583	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	111.1115	0.680	4	111.0007	0.729	6	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.7790	1.452	2	111.0007	0.729	6	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.2190	1.112	2	110.2190	1.236	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.6445	0.334	2	110.6445	0.112	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5817	2.085	4	109.5817	4.346	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.1810	2.215	2	110.1810	4.905	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	111.3115	0.118	2	111.3115	0.014	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.4535	2.562	2	109.4535	6.563	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.3150	2.520	2	109.3150	6.351	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.6540	1.796	2	109.6540	3.226	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.8187	1.404	4	109.7758	1.098	19	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	108.8660	0.762	2	109.7758	1.098	19	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,5|H<1>}	110.1010	0.000	1	109.7758	1.098	19	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.9170	0.997	6	109.7758	1.098	19	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.2000	0.412	2	109.7758	1.098	19	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.1825	1.280	4	109.7758	1.098	19	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.3045	0.678	2	110.3045	0.460	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.0190	1.121	4	109.0190	1.256	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.3930	1.097	4	109.2400	0.781	6	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	108.9340	0.106	2	109.2400	0.781	6	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	110.1022	1.257	4	110.1022	1.581	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5]){1|C<3>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C){2|C<3>,2|C<4>,4|H<1>}	109.6080	0.000	1	109.6080	0.000	1	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.8058	1.257	4	110.8058	1.581	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	111.5305	0.439	2	110.2268	1.729	12	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.3538	0.969	4	110.2268	1.729	12	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	110.2290	1.168	2	110.2268	1.729	12	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.4470	1.708	4	110.2268	1.729	12	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.6502	1.087	4	109.6502	1.183	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	109.8205	2.654	2	109.1280	3.002	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	108.4355	0.213	2	109.1280	3.002	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	108.2030	1.213	2	108.2030	1.472	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	108.6660	0.235	3	108.6660	0.055	3	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.6350	0.167	2	111.0810	0.211	5	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	111.3783	0.278	3	111.0810	0.211	5	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|C<3>,3|C<4>,4|H<1>}	109.5960	1.587	2	109.5960	2.518	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|N<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|N<2>,2|C<4>,5|H<1>}	109.8080	0.096	2	109.8080	0.009	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.9292	1.130	4	109.9335	0.959	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.9377	0.980	4	109.9335	0.959	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5892	0.256	4	109.5892	0.066	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.2950	0.816	3	110.2950	0.665	3	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5367	0.771	4	110.1162	1.059	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.0055	0.108	2	110.1162	1.059	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	111.3860	1.013	2	110.1162	1.059	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	109.4120	1.442	4	109.4120	2.080	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5120	0.813	2	109.5120	0.661	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|N<2>,3|C<4>,6|H<1>}	109.4235	0.177	2	109.9850	0.991	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|N<3>,4|C<4>,6|H<1>}	109.9905	0.681	2	109.9850	0.991	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|O<2>,3|C<4>,7|H<1>}	110.8170	1.974	2	109.9850	0.991	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){4|C<4>,7|H<1>}	109.7090	0.615	2	109.9850	0.991	8	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.9490	0.631	2	109.7711	1.381	95	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,5|H<1>}	109.7440	2.044	4	109.7711	1.381	95	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|O<1>,2|C<4>,4|H<1>}	110.7445	2.306	2	109.7711	1.381	95	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	110.3135	1.437	8	109.7711	1.381	95	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	109.6884	1.088	79	109.7711	1.381	95	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H){1|O<2>,3|C<4>,7|H<1>}	110.0660	1.167	2	110.0660	1.361	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.5605	1.053	4	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	109.7887	1.843	4	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	108.8850	2.893	2	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.7362	0.879	4	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.8105	2.221	2	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.0885	1.040	2	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.1015	0.834	2	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.8666	1.704	16	109.8327	2.275	36	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	109.9253	1.023	4	109.9253	1.048	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.4515	2.432	2	109.4515	5.913	2	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.8800	0.389	2	109.9595	2.243	10	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.6422	1.302	4	109.9595	2.243	10	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.8165	2.064	4	109.9595	2.243	10	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.8073	1.178	12	109.8073	1.389	12	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.4255	1.853	2	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5600	1.236	2	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.9360	0.880	4	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.1309	1.028	12	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.8743	0.651	4	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,1|S<1>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	111.6535	1.133	2	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.6870	1.510	4	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|P<4>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.1410	1.166	8	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.5463	1.937	4	110.1465	1.440	42	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|P<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.7018	2.116	4	109.7018	4.477	4	109.8819	1.556	344	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.4160	4.926	2	109.4160	24.263	2	109.6948	3.157	12	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<2>,1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.7310	0.085	2	110.7310	0.007	2	109.6948	3.157	12	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.0510	1.188	2	109.0510	1.411	2	109.6948	3.157	12	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	109.8760	0.225	2	109.8760	0.051	2	109.6948	3.157	12	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|C<4>,6|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	108.5050	0.595	2	109.5475	1.903	4	109.6948	3.157	12	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.5900	1.004	2	109.5475	1.903	4	109.6948	3.157	12	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{1|H<1>,4|C<3>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.5263	0.731	4	109.5263	0.534	4	109.8752	0.994	16	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.8739	1.040	8	109.8739	1.081	8	109.8752	0.994	16	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	110.2270	1.260	4	110.2270	1.587	4	109.8752	0.994	16	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.8190	0.344	2	109.8190	0.118	2	109.2685	6.576	4	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	111.7510	0.000	1	111.7510	0.000	1	109.2685	6.576	4	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	105.6850	0.000	1	105.6850	0.000	1	109.2685	6.576	4	109.7183	1.871	646	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:O-2: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)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(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>}	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[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>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	108.3914	1.746	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:O-2: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)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	O[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>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O[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>}	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.3914	1.746	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O-2: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)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(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>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	O[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>}	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	108.3914	1.746	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.0620	0.577	2	108.0620	0.333	2	108.0620	0.333	2	108.3914	1.746	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|N<2>,2|C<4>,5|H<1>}	109.4800	2.356	2	109.4800	5.551	2	109.4800	5.551	2	108.3914	1.746	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:2:2:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){2|C<4>,2|H<1>,2|O<2>}	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:3:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H){2|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,5|H<1>}	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	109.4396	1.917	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	109.6680	1.486	4	109.6680	2.209	4	109.6680	2.209	4	109.4396	1.917	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C)	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C){1|O<2>,5|C<4>,5|H<1>}	110.1895	0.323	2	110.1895	0.104	2	110.2507	0.063	3	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){3|C<4>,5|H<1>}	110.3730	0.000	1	110.3730	0.000	1	110.2507	0.063	3	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5]){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<2>,3|C<4>,4|H<1>}	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.7565	0.153	2	109.7565	0.024	2	109.7565	0.024	2	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|C<3>,3|C<4>,4|H<1>}	109.6115	4.494	2	109.6115	20.193	2	109.5938	2.362	13	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	110.4950	0.119	2	110.4950	0.014	2	109.5938	2.362	13	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.0755	1.685	2	109.3456	0.809	5	109.5938	2.362	13	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.5257	0.279	3	109.3456	0.809	5	109.5938	2.362	13	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)2(O[5]C[5])2{1|S<2>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H){1|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.2970	0.400	2	109.2970	0.160	2	109.5938	2.362	13	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)2(O[5]C[5])2{1|S<2>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H){1|H<1>,4|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.5920	1.624	2	109.5920	2.636	2	109.5938	2.362	13	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H){2|H<1>,3|C<4>,4|C<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	109.6580	0.556	4	109.6580	0.310	4	109.6580	0.310	4	109.6542	1.457	23	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:2:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6]C[5]C[6]O[6])2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]O[6])2{1|O<2>,5|C<4>,6|H<1>}	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	109.3490	0.167	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:2:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	109.5065	0.240	4	109.5065	0.058	4	109.5065	0.058	4	109.3490	0.167	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:3:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO){1|S<4>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	110.9145	1.381	2	110.9145	1.907	2	110.9145	1.907	2	110.9145	1.907	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	108.9600	0.938	2	108.9600	0.879	2	108.9600	0.879	2	108.8206	3.202	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.7740	2.486	2	109.7740	6.181	2	109.7740	6.181	2	108.8206	3.202	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	109.8240	1.208	2	109.8240	1.459	2	109.8240	1.459	2	108.8206	3.202	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	106.7245	1.111	2	106.7245	1.234	2	106.7245	1.234	2	108.8206	3.202	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	3:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	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>}	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	106.2000	0.000	1	106.2000	0.000	1	106.2000	0.000	1	106.2000	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:2:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:C-4:Cl-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl){2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:2:4:2:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:1:1:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH){1|N<3>,2|C<4>,4|H<1>}	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	105.5933	3.036	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	104.6130	0.553	2	104.6130	0.306	2	104.6130	0.306	2	105.5933	3.036	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:3:4:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	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>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.8510	0.608	2	108.8510	0.370	2	109.0460	0.299	3	109.0506	1.869	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	109.4360	0.000	1	109.4360	0.000	1	109.0460	0.299	3	109.0506	1.869	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,6|H<1>}	109.3080	0.000	1	109.9300	0.704	3	109.0540	3.539	4	109.0506	1.869	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,6|H<1>}	110.2410	0.909	2	109.9300	0.704	3	109.0540	3.539	4	109.0506	1.869	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){5|C<4>,7|H<1>}	106.4260	0.000	1	106.4260	0.000	1	109.0540	3.539	4	109.0506	1.869	7	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:3:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH){1|O<2>,2|H<1>,4|C<4>}	109.5580	0.211	2	109.5580	0.044	2	109.5580	0.044	2	109.5580	0.044	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	104.0840	0.000	1	104.0840	0.000	1	104.5765	0.485	2	104.5765	0.485	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	3:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	105.0690	0.000	1	105.0690	0.000	1	104.5765	0.485	2	104.5765	0.485	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	113.1090	0.000	1	113.1090	0.000	1	110.1367	11.761	7	110.0722	10.114	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	112.0130	3.601	3	112.0130	12.966	3	110.1367	11.761	7	110.0722	10.114	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	106.7010	0.000	1	107.2697	0.287	3	110.1367	11.761	7	110.0722	10.114	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	107.7660	0.000	1	107.2697	0.287	3	110.1367	11.761	7	110.0722	10.114	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	107.3420	0.000	1	107.2697	0.287	3	110.1367	11.761	7	110.0722	10.114	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(S[6]S[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(S[6]S[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|O<2>,2|C<3>,2|S<2>,4|H<1>}	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	110.0722	10.114	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H){2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.3140	0.000	1	108.3140	0.000	1	108.5193	0.969	3	108.5193	0.969	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:2:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H){2|O<2>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.6220	1.369	2	108.6220	1.874	2	108.5193	0.969	3	108.5193	0.969	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5,6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	109.1850	5.754	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	107.1730	0.079	2	107.1730	0.006	2	107.1730	0.006	2	109.1850	5.754	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<4>}	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>}	112.6735	0.168	2	112.6735	0.028	2	112.6735	0.028	2	109.1850	5.754	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	109.1850	5.754	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	109.6180	0.000	2	109.6180	0.000	2	109.6180	0.000	2	109.1850	5.754	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:3:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6]){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	109.0345	0.342	2	109.0345	0.117	2	109.0345	0.117	2	109.0345	0.117	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	106.1050	0.099	2	106.1050	0.010	2	106.1050	0.010	2	106.1050	0.010	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,5|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C){1|O<2>,4|C<4>,5|H<1>}	106.8980	0.000	1	106.8980	0.000	1	106.8980	0.000	1	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5]){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	108.1905	0.964	2	108.1905	0.929	2	108.1905	0.929	2	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,8|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H){2|C<4>,4|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	110.3730	0.000	1	110.3730	0.000	1	110.3050	0.009	2	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.2370	0.000	1	110.2370	0.000	1	110.3050	0.009	2	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5]){2|C<3>,3|C<4>,5|H<1>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,4|C<4>,8|H<1>}	109.1550	0.245	2	109.2963	0.090	3	109.2963	0.090	3	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,6|C<4>,6|H<1>}	109.5790	0.000	1	109.2963	0.090	3	109.2963	0.090	3	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	107.9580	0.000	1	107.9580	0.000	1	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	107.3420	0.000	1	107.3420	0.000	1	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	109.1270	0.000	1	109.1385	0.000	2	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	109.1500	0.000	1	109.1385	0.000	2	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	107.9430	0.000	1	108.8761	0.539	18	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.8651	0.686	16	108.8761	0.539	18	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	109.9840	0.000	1	108.8761	0.539	18	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	110.4110	1.396	2	110.4110	1.948	2	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2){1|C<3>,6|C<4>,6|H<1>}	109.4930	0.000	1	109.4930	0.000	1	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Pt<4>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	108.2770	0.000	1	108.2770	0.000	1	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO){2|C<4>,5|H<1>}	111.7250	0.000	1	111.7250	0.000	1	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.7340	0.000	1	109.7340	0.000	1	109.0499	1.033	28	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(P[5]C[6a]S[5]S)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,1|S<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(P[5]C[6a]S[5]S){2|C<3>,2|C<4>,3|H<1>}	108.7160	0.000	1	108.7160	0.000	1	108.5915	0.031	2	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(P[5]S[5]SS)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<4>,1|S<1>,1|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,1|S<2>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(P[5]S[5]SS){2|C<4>,3|H<1>}	108.4670	0.000	1	108.4670	0.000	1	108.5915	0.031	2	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	110.1405	0.142	2	110.1405	0.020	2	110.1405	0.020	2	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	109.0902	1.339	44	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	107.1082	3.593	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	104.5090	0.000	1	104.5090	0.000	1	104.5090	0.000	1	107.1082	3.593	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.5180	0.000	2	108.5180	0.000	2	108.5180	0.000	2	107.1082	3.593	4	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH)	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH){5|C<4>,5|H<1>,5|O<2>}	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){4|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5,6,6]C[5]C[6]){3|H<1>,9|C<4>}	108.3680	0.328	2	108.3680	0.108	2	108.3680	0.108	2	110.0170	1.682	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(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]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	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>}	110.8415	0.221	4	110.8415	0.049	4	110.8415	0.049	4	110.0170	1.682	6	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|O<1>,3|C<3>,5|H<1>}	108.8215	1.558	2	108.8215	2.427	2	108.8215	2.427	2	108.8215	2.427	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:2:1:	4:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	106.1215	0.571	2	106.1215	0.326	2	107.1256	0.594	8	107.1256	0.594	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:2:1:	4:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	107.4603	0.478	6	107.4603	0.228	6	107.1256	0.594	8	107.1256	0.594	8	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:3:1:	4:4:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,4|C<3>,4|H<1>}	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	108.1795	0.369	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:3:3:1:	4:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	108.1795	0.369	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,3|C<4>,5|H<1>}	107.6820	2.205	2	107.6820	4.861	2	108.1174	1.423	5	108.1174	1.423	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|Se<2>,2|C<3>,2|C<4>,4|H<1>}	108.2370	0.151	2	108.2370	0.023	2	108.1174	1.423	5	108.1174	1.423	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	108.7490	0.000	1	108.7490	0.000	1	108.1174	1.423	5	108.1174	1.423	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:4:1:	4:3:	C[5,5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a])	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|N<3>,3|H<1>}	O[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	107.1105	1.412	2	107.1105	1.994	2	107.1105	1.994	2	107.1105	1.994	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:3:2:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:2:1:1:	4:4:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2{2|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	105.7480	0.000	1	105.7480	0.000	1	105.7480	0.000	1	105.7480	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	106.5330	0.000	1	106.4980	0.002	2	106.4980	0.002	2	106.4980	0.002	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	106.4630	0.000	1	106.4980	0.002	2	106.4980	0.002	2	106.4980	0.002	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:3:1:	4:4:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	107.2335	0.193	2	107.2335	0.037	2	107.2335	0.037	2	107.2335	0.037	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:3:4:1:	4:4:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,4|C<4>,5|H<1>}	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(O[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5]){3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(O[5]C[5]){4|C<4>,6|H<1>}	107.3570	3.302	2	107.3570	10.904	2	107.3570	10.904	2	107.3570	10.904	2	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H)	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5]){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H){3|O<2>,4|H<1>,5|C<4>}	108.6370	0.452	3	108.6370	0.204	3	108.6370	0.204	3	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,4|C<4>,8|H<1>}	108.7745	0.076	2	108.6697	0.101	4	108.6697	0.101	4	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<4>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,4|C<4>,8|H<1>}	108.5650	0.502	2	108.6697	0.101	4	108.6697	0.101	4	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5]){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH){1|C<3>,3|C<4>,5|H<1>}	108.3365	2.973	2	108.3365	8.841	2	108.1915	1.907	6	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5]){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO){4|C<4>,6|H<1>}	108.1190	0.459	4	108.1190	0.211	4	108.1915	1.907	6	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	108.8100	0.000	1	108.8100	0.000	1	107.6556	0.947	8	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	107.5925	0.066	2	107.5925	0.004	2	107.6556	0.947	8	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO){1|C<3>,2|C<4>,7|H<1>}	107.6820	1.581	2	107.6820	2.500	2	107.6556	0.947	8	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2{3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,7|H<1>}	107.6720	1.243	2	107.6720	1.545	2	107.6556	0.947	8	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.5420	0.000	1	106.5420	0.000	1	107.6556	0.947	8	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	107.2325	0.602	2	107.2325	0.362	2	107.2325	0.362	2	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	108.4230	0.733	2	108.4230	0.537	2	108.4230	0.537	2	108.0918	0.970	25	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	O[5](C[5,6]C[5,6]2C[6])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5]){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]2C[6])(C[5]O[5]CC){1|O<2>,3|H<1>,4|C<4>}	106.2850	0.000	1	106.2850	0.000	1	106.2850	0.000	1	107.3978	3.552	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	107.3978	3.552	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	106.9450	0.000	1	106.9450	0.000	1	108.8330	7.129	2	107.3978	3.552	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.7210	0.000	1	110.7210	0.000	1	108.8330	7.129	2	107.3978	3.552	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	107.3978	3.552	5	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6]){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,6|C<4>,6|H<1>}	106.8810	1.059	2	106.8810	1.122	2	106.8810	1.122	2	107.6180	2.191	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){5|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){5|C<4>,5|H<1>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	107.6180	2.191	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO){1|O<2>,4|H<1>,5|C<4>}	109.1400	0.000	1	109.1400	0.000	1	108.6817	0.379	3	108.6817	0.379	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	107.9820	0.000	1	107.9820	0.000	1	108.6817	0.379	3	108.6817	0.379	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	108.9230	0.000	1	108.9230	0.000	1	108.6817	0.379	3	108.6817	0.379	3	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5,6]	C[6]	O[5]	4:4:4:2:	4:4:4:4:	4:4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2{1|O<2>,4|C<4>,4|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO){1|O<2>,4|H<1>,5|C<4>}	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	109.8972	3.907	1692	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[3x6]	O[5]	4:2:2:1:	3:3:4:4:	4:4:	C[3x6]-4:O[5]-2:O[5]-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H)	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H){1|C<4>,5|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H){1|O<1>,3|C<4>,3|H<1>,6|C<3>}	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	111.1465	0.765	4	111.1465	0.585	4	111.1465	0.585	4	111.1465	0.585	4	110.2738	2.915	6	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[3x6]	O[5]	4:3:2:1:	3:3:4:4:	4:4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	108.5285	1.918	2	108.5285	3.680	2	108.5285	3.680	2	108.5285	3.680	2	110.2738	2.915	6	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	3:3:4:2:	4:4:3:1:	4:4:	C[5,6a]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5])	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5]){2|C<4>,5|H<1>,7|C<3>}	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	3:4:2:1:	3:4:3:1:	4:4:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	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>}	110.7347	3.211	4	110.7347	10.313	4	110.7347	10.313	4	110.7347	10.313	4	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	3:4:4:2:	4:4:3:1:	4:4:	C[6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H)	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5]){3|C<3>,3|C<4>,5|H<1>}	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC){1|C<4>,3|C<3>,3|H<1>}	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5])2(H)	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	110.7370	3.511	2	110.7370	12.331	2	110.7370	12.331	2	110.7370	12.331	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	111.3400	0.156	2	111.3400	0.024	2	111.1590	0.155	8	111.4507	1.832	16	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	111.0987	0.442	6	111.0987	0.195	6	111.1590	0.155	8	111.4507	1.832	16	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H){2|H<1>,6|C<4>}	111.3530	1.056	2	111.3530	1.116	2	111.5100	0.430	4	111.4507	1.832	16	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H){1|C<3>,3|H<1>,4|C<4>}	111.6670	0.277	2	111.6670	0.077	2	111.5100	0.430	4	111.4507	1.832	16	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H)	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	111.5140	3.069	2	111.5140	9.418	2	111.5140	9.418	2	111.4507	1.832	16	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.9890	0.000	1	114.9890	0.000	1	112.4360	13.036	2	111.4507	1.832	16	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H){1|C<3>,1|H<1>,4|C<4>}	109.8830	0.000	1	109.8830	0.000	1	112.4360	13.036	2	111.4507	1.832	16	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:1:	4:4:4:4:	4:4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3)	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3){1|C<3>,4|C<4>,5|H<1>}	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|H<1>,3|C<4>}	111.1785	2.140	2	111.1785	4.581	2	111.1785	4.581	2	111.1785	4.581	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:2:4:	4:4:4:4:	4:4:	C[6]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3)	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3)	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH)	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,8|H<1>}	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH){2|H<1>,3|C<4>}	108.8775	1.012	2	108.8775	1.024	2	108.8775	1.024	2	108.8775	1.024	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:3:1:	3:4:4:2:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	110.4217	1.613	3	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:3:1:	3:4:4:2:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.1645	1.682	2	110.1645	2.830	2	110.1645	2.830	2	110.4217	1.613	3	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:2:3:1:	4:3:2:4:	4:4:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]H)	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	109.7215	0.432	2	109.7215	0.187	2	109.7215	0.187	2	109.7215	0.187	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:2:2:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|O<2>,3|H<1>}	108.0605	0.149	2	108.0605	0.022	2	108.0605	0.022	2	108.0605	0.022	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	111.0400	0.000	1	111.2320	0.074	2	111.2320	0.074	2	111.2320	0.074	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	111.4240	0.000	1	111.2320	0.074	2	111.2320	0.074	2	111.2320	0.074	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:3:3:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C[6]H)	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C[6]H){1|O<2>,3|C<4>,6|H<1>}	105.4080	0.000	1	105.4080	0.000	1	105.4080	0.000	1	105.4080	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H){1|O<2>,3|C<4>,7|H<1>}	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	112.3600	0.000	1	112.3600	0.000	1	108.9086	4.491	5	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	107.8377	1.130	3	108.0457	1.024	4	108.9086	4.491	5	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	108.6700	0.000	1	108.0457	1.024	4	108.9086	4.491	5	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<4>,3|H<1>,3|O<2>}	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H){2|O<2>,4|C<4>,4|H<1>}	110.1665	0.040	2	110.1665	0.002	2	110.4663	0.130	4	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	110.7660	0.173	2	110.7660	0.030	2	110.4663	0.130	4	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O){4|H<1>,5|C<4>}	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|Se<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	109.7008	2.803	12	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.6915	2.374	2	109.6915	5.635	2	109.6915	5.635	2	109.6915	5.635	2	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:3:2:	4:2:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	O[5](C[5]C[5]C[6]H)(O[5]C[5])	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	O[5](C[5]C[5]C[6]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:3:4:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){1|C<3>,3|H<1>,4|C<4>}	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[4,5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H)	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H){1|N<2>,3|C<4>,7|H<1>}	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH){1|C<3>,2|H<1>,4|C<4>}	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	109.8740	1.266	6	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,5|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H){1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.6940	0.646	2	110.6940	0.418	2	110.6940	0.418	2	109.8740	1.266	6	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	111.0600	0.000	1	111.0600	0.000	1	109.8283	1.150	3	109.8740	1.266	6	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.2125	0.156	2	109.2125	0.024	2	109.8283	1.150	3	109.8740	1.266	6	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|O<2>,4|C<4>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	110.8540	5.504	4	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<3>,3|C<4>,3|H<1>}	112.0870	0.000	1	111.9030	1.654	3	111.9030	1.654	3	110.8540	5.504	4	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){3|H<1>,5|C<4>}	111.8110	1.805	2	111.9030	1.654	3	111.9030	1.654	3	110.8540	5.504	4	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	105.6485	0.233	2	105.6485	0.054	2	105.6485	0.054	2	105.9850	0.367	3	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|S<4>,3|C<4>,3|H<1>}	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|O<2>,5|H<1>}	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	105.9850	0.367	3	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	0:SP3_SP3_SP3	C[5]	C[6]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH)	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH){2|C<4>,5|H<1>}	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	110.0341	4.215	70	109.9000	4.494	2219
474	466	976	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	O[5,6]	3:4:4:2:	4:4:2:1:	4:4:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	C[5,3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H)	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C)	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	104.8570	0.000	1	104.8570	0.000	1	104.8570	0.000	1	104.8570	0.000	1	104.8570	0.000	1	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	O[5,6]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H)	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H)	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H){4|H<1>,5|C<4>}	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	O[5,6]	4:4:2:4:	4:3:4:1:	4:4:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H){1|C<3>,4|C<4>,5|H<1>}	107.0715	0.202	2	107.0247	0.034	4	107.0247	0.034	4	107.0247	0.034	4	107.0247	0.034	4	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	O[5,6]	4:4:2:4:	4:3:4:1:	4:4:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H){1|C<3>,4|C<4>,5|H<1>}	106.9780	0.226	2	107.0247	0.034	4	107.0247	0.034	4	107.0247	0.034	4	107.0247	0.034	4	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:2:1:	4:4:	O[5,6]-2:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,5]C[5]C[6])	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,5]C[5]C[6]){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	109.5855	0.424	2	109.5855	0.179	2	109.5855	0.179	2	109.5855	0.179	2	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:3:	4:4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:4:	4:3:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2)	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2{4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:4:	4:3:2:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H){4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[3x5]-4:O[5,6]-2:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO)	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H)	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|Br<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	102.9480	0.000	2	102.9480	0.000	2	102.9480	0.000	2	105.4336	5.598	5	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,6]2O[5])	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,5|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,6]2O[5]){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	105.4336	5.598	5	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	106.2740	0.000	1	106.2740	0.000	1	106.5705	0.176	2	105.4336	5.598	5	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|N<2>,3|C<4>,7|H<1>}	106.8670	0.000	1	106.8670	0.000	1	106.5705	0.176	2	105.4336	5.598	5	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:4:2:4:	4:3:1:1:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	108.4470	0.000	1	109.0940	0.837	2	109.0940	0.837	2	109.0940	0.837	2	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:4:2:4:	4:3:1:1:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	109.7410	0.000	1	109.0940	0.837	2	109.0940	0.837	2	109.0940	0.837	2	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,5,6]	C[6]	O[5,6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	107.1168	5.799	13	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5,6]	4:3:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){1|O<1>,3|C<4>,4|H<1>}	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	107.2071	2.003	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	107.1310	0.079	2	107.2253	0.033	4	107.2253	0.033	4	107.5157	0.224	6	107.2071	2.003	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	107.3195	0.238	2	107.2253	0.033	4	107.2253	0.033	4	107.5157	0.224	6	107.2071	2.003	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0965	0.011	2	107.5157	0.224	6	107.2071	2.003	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	108.1720	0.000	1	108.1720	0.000	1	108.0965	0.011	2	107.5157	0.224	6	107.2071	2.003	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	O[5,6]	4:4:2:4:	4:4:3:2:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3)	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH)	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH){2|H<1>,3|O<2>,5|C<4>}	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	105.1400	0.758	2	105.1400	0.575	2	105.1400	0.575	2	105.1400	0.575	2	107.2071	2.003	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	O[5,6]	4:2:2:4:	4:3:4:4:	4:4:	C[4x6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[3x6]-4:C[6,6]-3:C[5,6,6]-4:C[6,6]-4:	C[3x5,6]-4:C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3)	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH)	O[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C[5])(C[5,6,6]C[4x6]O[5,6]C)	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	O[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C[5])(C[5,6,6]C[4x6]O[5,6]C){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	108.6737	0.215	3	108.6737	0.046	3	108.6737	0.046	3	108.6677	0.240	7	108.6677	0.240	7	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	O[5,6]	4:2:2:4:	4:3:4:4:	4:4:	C[4x6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[3x6]-4:C[6,6]-3:C[5,6,6]-4:C[6,6]-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3)	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH)	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[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	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>}	108.6633	0.670	4	108.6633	0.449	4	108.6633	0.449	4	108.6677	0.240	7	108.6677	0.240	7	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	2:4:4:2:	4:4:4:1:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6]){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	2:4:4:2:	4:4:4:2:	4:4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){2|O<2>,5|C<4>,6|H<1>}	108.5400	0.130	2	108.5400	0.017	2	108.5400	0.017	2	108.5400	0.017	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	2:4:4:4:	4:3:4:1:	4:4:	O[5,6]-2:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	3:4:2:2:	4:3:2:3:	4:4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:2:3:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	109.2630	0.000	1	109.2630	0.000	1	108.4110	1.452	2	108.4110	1.452	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:2:3:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	107.5590	0.000	1	107.5590	0.000	1	108.4110	1.452	2	108.4110	1.452	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:2:4:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	109.3260	0.000	1	109.5154	0.145	5	108.5898	1.071	10	108.5898	1.071	10	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:2:4:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	109.5627	0.423	4	109.5154	0.145	5	108.5898	1.071	10	108.5898	1.071	10	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:2:4:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	108.0250	0.000	1	107.6642	0.123	5	108.5898	1.071	10	108.5898	1.071	10	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:2:4:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	107.5740	0.332	4	107.6642	0.123	5	108.5898	1.071	10	108.5898	1.071	10	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:2:	4:4:2:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H)	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C)	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,5|H<1>}	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:2:	4:4:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,4|C<4>,5|H<1>}	108.7395	0.152	2	108.7395	0.023	2	108.7395	0.023	2	108.7395	0.023	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:2:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){4|H<1>,6|C<4>}	109.2000	0.000	1	109.3590	0.051	2	109.3590	0.051	2	109.3590	0.051	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:2:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){4|H<1>,6|C<4>}	109.5180	0.000	1	109.3590	0.051	2	109.3590	0.051	2	109.3590	0.051	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:3:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.3390	0.000	1	106.3390	0.000	1	106.3390	0.000	1	106.6850	0.136	3	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:3:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,6|H<1>}	106.8580	0.305	2	106.8580	0.093	2	106.8580	0.093	2	106.6850	0.136	3	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:3:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,6|H<1>}	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>}	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:4:	4:3:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:4:	4:3:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:4:	4:4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|Br<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	106.1820	0.000	2	105.9130	0.096	4	105.9130	0.096	4	106.4948	1.765	5	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:4:	4:4:3:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,5|C<4>,5|H<1>}	105.6440	0.000	2	105.9130	0.096	4	105.9130	0.096	4	106.4948	1.765	5	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:4:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(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[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	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>}	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	106.4948	1.765	5	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:2:4:4:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	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>}	106.5545	0.204	2	106.5545	0.042	2	106.5545	0.042	2	106.5545	0.042	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:3:2:4:	4:3:4:1:	4:4:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5])	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5]){3|C<3>,4|H<1>,5|C<4>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:3:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1: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])(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2	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]H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){2|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2{2|O<2>,6|C<4>}	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]H){2|O<2>,4|H<1>,6|C<4>}	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){1|C<3>,2|C<4>,6|H<1>}	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	O[5,6](C[3x5,6]C[3x5,6]C[5,6,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	O[5,6](C[3x5,6]C[3x5,6]C[5,6,6]C[5])(C[5,6,6]C[5,6]C[6,6]H){5|H<1>,7|C<4>}	110.2920	0.000	1	110.2920	0.000	1	110.1770	0.026	2	110.1863	0.997	4	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	O[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	O[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H){5|H<1>,7|C<4>}	110.0620	0.000	1	110.0620	0.000	1	110.1770	0.026	2	110.1863	0.997	4	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){3|C<4>,6|H<1>}	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	110.1863	0.997	4	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,4|H<1>}	111.4130	0.000	1	111.4130	0.000	1	111.4130	0.000	1	110.1863	0.997	4	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1: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)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	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>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	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>}	106.6710	0.000	1	106.3980	0.149	2	106.3980	0.149	2	106.3980	0.149	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1: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)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	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>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	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>}	106.1250	0.000	1	106.3980	0.149	2	106.3980	0.149	2	106.3980	0.149	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C-3: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)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(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>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	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>}	107.0375	0.456	2	107.0375	0.208	2	107.0375	0.208	2	107.0375	0.208	2	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[6,6]-4:C-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)	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(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>}	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	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>}	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:3:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C-3:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO)	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2{1|N<4>,2|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C){3|C<4>,6|H<1>}	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:4:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(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]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<1>,3|C<4>}	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]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	104.8430	0.000	1	104.6532	0.069	6	105.0715	0.670	8	105.0715	0.670	8	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:4:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(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]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	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]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	104.6400	0.311	4	104.6532	0.069	6	105.0715	0.670	8	105.0715	0.670	8	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:4:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(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]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	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]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	104.5160	0.000	1	104.6532	0.069	6	105.0715	0.670	8	105.0715	0.670	8	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	O[5,6]	4:4:2:4:	4:4:3:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(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]C)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	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]C){1|C<3>,2|C<4>,4|H<1>}	106.3265	0.383	2	106.3265	0.146	2	105.0715	0.670	8	105.0715	0.670	8	107.4938	2.843	57	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:4:	4:4:1:1:	4:4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){3|C<4>,8|H<1>}	107.3350	0.074	2	107.3350	0.005	2	107.3150	0.004	3	107.3150	0.004	3	107.2749	0.278	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	3:2:4:4:	4:4:1:1:	4:4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,8|H<1>}	107.2750	0.000	1	107.2750	0.000	1	107.3150	0.004	3	107.3150	0.004	3	107.2749	0.278	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|O<2>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){2|O<2>,5|C<4>,6|H<1>}	106.5475	0.275	2	106.9637	0.557	3	106.9637	0.557	3	106.9933	0.375	4	107.2749	0.278	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	107.7960	0.000	1	106.9637	0.557	3	106.9637	0.557	3	106.9933	0.375	4	107.2749	0.278	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,4|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,3|C<4>,8|H<1>}	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	106.9933	0.375	4	107.2749	0.278	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	107.7780	0.261	2	107.2749	0.278	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6,6]	C[6]	O[5,6]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.7780	0.261	2	107.2749	0.278	9	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:2:1:	4:3:2:2:	4:4:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,4|H<1>}	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:3:1:	4:3:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[6,6]C[5]H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[6,6]C[5]H)2{1|C<3>,2|C<4>,4|H<1>}	108.0430	0.017	2	108.0430	0.000	2	108.0430	0.000	2	108.0430	0.000	2	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:3:1:	4:4:2:1:	4:4:	C[6,6]-4:O[5,6]-2:S[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H)	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H){1|Si<4>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:3:2:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	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)	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	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>}	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	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>}	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:3:3:	4:3:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5]){3|C<3>,4|H<1>,5|C<4>}	106.6980	0.000	1	106.6980	0.000	1	106.6980	0.000	1	106.6980	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:3:4:	4:3:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[6,6]C[5]C)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[6,6]C[5]C)2{1|C<3>,2|C<4>,4|H<1>}	107.4225	0.062	2	107.4225	0.004	2	107.4225	0.004	2	107.4225	0.004	2	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:3:4:	4:4:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H)	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:1:	3:4:3:3:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H)	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H){2|C<4>,2|H<1>,4|C<3>}	105.4140	0.000	1	105.4140	0.000	1	105.4140	0.000	1	105.4140	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|O<2>,1|S<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:1:	4:4:3:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	104.9470	0.000	1	104.9470	0.000	1	104.9470	0.000	1	104.9470	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:1:	4:4:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H){3|C<4>,4|H<1>}	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:1:	4:4:4:4:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	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]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C){3|C<4>,6|H<1>}	109.8670	0.058	2	109.8670	0.003	2	109.8670	0.003	2	109.8670	0.003	2	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:2:	4:4:4:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	108.2660	0.274	2	108.2660	0.075	2	108.2660	0.075	2	108.2660	0.075	2	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:3:	4:4:3:1:	3:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H)	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H){2|C<4>,2|N<3>,3|H<1>}	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C){1|C<3>,3|C<4>,5|H<1>}	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:3:	4:4:4:1:	3:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	N[5,5,6]-3:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C){4|C<4>,5|H<1>}	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:2:4:4:	4:4:4:3:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	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]HH)(CH3)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]S)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|S<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO){1|S<2>,3|C<4>,7|H<1>}	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>}	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:3:2:3:	4:3:2:1:	4:4:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H)	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,7|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|H<1>,1|O<2>,8|C<3>}	102.4500	0.000	1	102.4500	0.000	1	102.4500	0.000	1	102.4500	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:3:2:3:	4:3:4:1:	4:4:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	104.4990	0.000	1	104.4990	0.000	1	104.4990	0.000	1	104.4990	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:4:2:1:	4:4:2:2:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2{4|C<4>,7|H<1>}	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C){1|C<3>,2|S<2>,3|C<4>,3|H<1>}	109.0757	0.260	4	109.0757	0.068	4	109.0757	0.068	4	109.0757	0.068	4	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6,6]	O[5,6]	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[5]-4:O[5,6]-2:C-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	110.2800	0.000	1	107.7822	3.883	27	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:1:	4:3:2:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:2:	4:2:4:4:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:S[6]-2:C-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2	O[5,6](C[5,6]C[6a]C[6]O[5])2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2{1|O<2>,2|C<3>,3|C<4>}	O[5,6](C[5,6]C[6a]C[6]O[5])2{1|S<2>,4|C<3>,4|C<4>}	110.7145	0.180	2	110.7145	0.033	2	110.7145	0.033	2	110.7145	0.033	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5])	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5]){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	108.9100	0.406	2	108.9100	0.165	2	108.9100	0.165	2	109.8730	2.864	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5])	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5]){1|Se<1>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5]){1|Se<1>,1|C<4>,4|H<1>,5|C<3>}	111.7990	0.000	1	111.7990	0.000	1	111.7990	0.000	1	109.8730	2.864	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:3:	4:4:1:1:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	106.4930	0.161	2	106.4930	0.026	2	106.4930	0.026	2	107.7368	2.077	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:3:	4:4:1:1:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	108.9805	0.135	2	108.9805	0.018	2	108.9805	0.018	2	107.7368	2.077	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	106.9710	0.000	1	106.9710	0.000	1	107.1350	0.210	3	107.1350	0.210	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	107.2170	0.617	2	107.2170	0.380	2	107.1350	0.210	3	107.1350	0.210	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:3:4:4:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	105.0350	0.000	1	105.0350	0.000	1	105.0350	0.000	1	105.0350	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	109.3300	0.042	2	109.3300	0.002	2	109.1850	0.066	9	109.9596	1.267	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	109.1436	0.281	7	109.1436	0.079	7	109.1850	0.066	9	109.9596	1.267	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	111.1510	0.000	1	111.1510	0.000	1	111.6040	0.410	2	109.9596	1.267	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	112.0570	0.000	1	112.0570	0.000	1	111.6040	0.410	2	109.9596	1.267	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	111.1873	0.316	3	111.1873	0.100	3	111.1873	0.100	3	109.9596	1.267	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	109.7610	0.454	2	109.7610	0.206	2	109.7610	0.206	2	109.3327	0.740	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	109.4685	0.293	2	109.4685	0.086	2	109.2471	0.832	10	109.3327	0.740	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	110.4650	0.000	1	110.4650	0.000	1	109.2471	0.832	10	109.3327	0.740	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.3553	0.834	3	108.3553	0.696	3	109.2471	0.832	10	109.3327	0.740	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	109.9305	0.851	2	109.9305	0.724	2	109.2471	0.832	10	109.3327	0.740	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	109.0710	0.571	2	109.0710	0.326	2	109.2471	0.832	10	109.3327	0.740	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:2:2:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	107.1950	0.000	1	107.1950	0.000	1	108.3120	0.730	4	108.3120	0.730	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.6843	0.514	3	108.6843	0.264	3	108.3120	0.730	4	108.3120	0.730	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:1:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-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)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:2:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	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)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H)	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>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H){2|C<4>,2|H<1>}	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>}	108.9070	2.003	3	108.9070	4.011	3	108.9070	4.011	3	108.9070	4.011	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:2:	4:4:4:3:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C-4:C-3:	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)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	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>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO){2|C<4>,2|H<1>}	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>}	109.2985	1.032	2	109.2985	1.064	2	109.2985	1.064	2	109.2985	1.064	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1: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)(O[5]C[5,5])(CC[6a]HH)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.9885	0.101	2	107.9885	0.010	2	107.9885	0.010	2	107.9718	0.175	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]N[6]C)(H)2	O[5,6](C[5,6]C[5]N[6]N)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]N[6]C)(H)2{2|C<4>}	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>}	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	107.9718	0.175	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C){1|N<3>,6|H<1>}	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	107.9718	0.175	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH){2|O<2>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|C<3>,1|O<2>,5|C<4>}	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.5805	0.118	2	108.5805	0.014	2	108.5805	0.014	2	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|O<2>,6|C<4>}	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C){2|H<1>,2|O<2>,3|C<4>}	105.7880	0.000	1	105.7880	0.000	1	105.7880	0.000	1	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3){1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,4|H<1>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.6310	0.000	1	109.6310	0.000	1	109.7960	0.471	8	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.7040	0.000	1	108.7040	0.000	1	109.7960	0.471	8	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	110.8840	0.000	1	110.8840	0.000	1	109.7960	0.471	8	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,1|C<4>,3|H<1>}	109.8560	0.000	1	109.7887	0.286	4	109.7960	0.471	8	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,2|C<4>,2|H<1>}	109.7663	0.652	3	109.7887	0.286	4	109.7960	0.471	8	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	109.9940	0.000	1	109.9940	0.000	1	109.7960	0.471	8	109.1158	1.648	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,3|H<1>}	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H){3|C<4>}	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|H<1>,3|C<4>}	108.3900	0.000	1	108.3900	0.000	1	107.0844	0.623	5	107.3913	1.063	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	107.0350	0.156	2	106.7580	0.120	4	107.0844	0.623	5	107.3913	1.063	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|H<1>,3|C<4>}	106.4810	0.171	2	106.7580	0.120	4	107.0844	0.623	5	107.3913	1.063	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:3:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H)	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,1|C<4>,3|H<1>}	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	107.3913	1.063	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:4:3:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO)	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,2|C<4>,2|H<1>}	109.5175	1.193	2	109.5175	1.423	2	109.6090	0.737	3	109.6090	0.737	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:4:3:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO)	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,2|C<4>,2|H<1>}	109.7920	0.000	1	109.7920	0.000	1	109.6090	0.737	3	109.6090	0.737	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:2:4:	4:4:4:4:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-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]O[5])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2{1|O<2>,3|C<4>}	O[5,6](C[5,6]C[6]O[5]C)2{5|C<4>}	110.5075	0.271	4	110.5075	0.073	4	110.5075	0.073	4	110.5075	0.073	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	3:4:4:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H)	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H){2|C<3>,3|C<4>,4|H<1>}	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1: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]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	107.1217	0.951	4	107.1217	0.905	4	107.1217	0.905	4	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,6|H<1>}	106.8970	0.191	2	106.8970	0.036	2	106.8970	0.036	2	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5,6](C[5,6]C[5]C[6]H)2{1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	107.8540	0.000	1	107.8540	0.000	1	106.9907	0.804	6	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[5,6](C[5,6]C[5]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	107.2550	0.000	1	107.2550	0.000	1	106.9907	0.804	6	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.4690	0.000	1	106.3350	1.500	2	106.9907	0.804	6	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.2010	0.000	1	106.3350	1.500	2	106.9907	0.804	6	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|C<4>,5|H<1>}	106.4390	0.000	1	107.0825	0.828	2	106.9907	0.804	6	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	107.7260	0.000	1	107.0825	0.828	2	106.9907	0.804	6	107.0187	0.623	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:2:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|H<1>}	104.7900	0.000	1	104.7900	0.000	1	106.1440	3.667	2	106.1440	3.667	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:2:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	107.4980	0.000	1	107.4980	0.000	1	106.1440	3.667	2	106.1440	3.667	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:4:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-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]C[5]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	107.6720	0.000	1	107.6720	0.000	1	107.7935	0.030	2	107.7935	0.030	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:3:4:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-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]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|C<4>,5|H<1>}	107.9150	0.000	1	107.9150	0.000	1	107.7935	0.030	2	107.7935	0.030	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	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)(C[5]N[5]2)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	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>}	108.4025	0.353	2	108.4025	0.125	2	108.4025	0.125	2	108.4025	0.125	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	104.8230	0.000	1	104.8230	0.000	1	105.2470	0.360	2	105.2470	0.360	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:1:	4:4:2:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	105.6710	0.000	1	105.6710	0.000	1	105.2470	0.360	2	105.2470	0.360	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:2:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1: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)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2	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>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	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>}	106.6400	0.007	2	106.6400	0.000	2	106.6400	0.000	2	106.6400	0.000	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5a]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6])	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2	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](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6]){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	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>}	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	109.2420	0.174	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:2:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:N[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	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)	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	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>}	109.4500	0.297	2	109.4500	0.088	2	109.4500	0.088	2	109.2420	0.174	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:2:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-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)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(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>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	107.5865	1.616	2	107.5865	2.611	2	107.5865	2.611	2	107.5865	2.611	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:4:	4:3:1:1:	6:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	Ga[5,5,6,6]-6:C[5,6]-4:	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2	O[5,6](Ga[5,5,6,6]O[5,6]O[5]2O[6]2)(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH){1|O<1>,4|O<2>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2{1|Ga<6>,1|O<1>,1|O<2>}	O[5,6](Ga[5,5,6,6]O[5,6]O[5]2O[6]2)(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:3:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	107.4675	0.405	2	107.4675	0.164	2	107.4675	0.164	2	107.4675	0.164	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:2:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H){1|C<4>,1|N<3>}	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,3|C<4>}	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:2:4:4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3){2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,4|H<1>}	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1: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]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	108.7893	2.006	15	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,4|H<1>}	108.8379	1.510	13	108.8379	2.280	13	108.8379	2.280	13	108.7893	2.006	15	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C){1|N<3>,6|H<1>}	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.7893	2.006	15	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2: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]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.0890	0.000	1	107.0890	0.000	1	107.1800	0.017	2	107.1800	0.017	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2: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]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H){2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.2710	0.000	1	107.2710	0.000	1	107.1800	0.017	2	107.1800	0.017	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-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]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	108.6130	0.621	2	108.5847	0.195	3	108.5847	0.195	3	108.5847	0.195	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-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]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){2|H<1>,4|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	108.5280	0.000	1	108.5847	0.195	3	108.5847	0.195	3	108.5847	0.195	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:3:4:4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	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)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3){3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,3|C<4>,8|H<1>}	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	109.2345	0.301	2	107.1185	6.006	4	108.4986	2.700	12	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	105.0025	0.138	2	107.1185	6.006	4	108.4986	2.700	12	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	109.1886	0.191	8	109.1886	0.037	8	108.4986	2.700	12	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){3|C<3>,3|C<4>,6|H<1>}	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,8|H<1>}	108.7150	0.000	1	108.7430	0.001	3	108.3719	0.302	7	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){3|C<4>,8|H<1>}	108.7570	0.007	2	108.7430	0.001	3	108.3719	0.302	7	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){4|H<1>,6|C<4>}	107.6335	0.480	2	107.6335	0.231	2	108.3719	0.302	7	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,4|C<4>,5|H<1>}	108.5535	0.090	2	108.5535	0.008	2	108.3719	0.302	7	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1: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)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	109.0560	0.000	1	109.0560	0.000	1	108.2778	0.571	22	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,4|H<1>}	109.0010	0.000	1	109.0010	0.000	1	108.2778	0.571	22	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	107.1720	0.000	1	107.1720	0.000	1	108.2778	0.571	22	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1: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]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,7|H<1>}	107.1470	0.000	1	107.1470	0.000	1	108.2778	0.571	22	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	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[5]O[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	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>}	107.1715	0.194	2	107.1715	0.038	2	108.2778	0.571	22	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,4|H<1>}	108.6271	0.516	13	108.6271	0.266	13	108.2778	0.571	22	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	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[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	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>}	107.7470	0.361	3	107.7470	0.130	3	108.2778	0.571	22	108.3923	1.134	43	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:3:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:As[5,6]-3:	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)(As[5,6]S[5]S[6])	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(As[5,6]S[5]S[6]){1|C<4>,1|O<2>,3|H<1>}	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	108.9430	0.000	1	109.5590	0.759	2	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	110.1750	0.000	1	109.5590	0.759	2	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	108.6620	0.525	2	109.0101	0.164	8	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	109.0720	0.276	2	109.0101	0.164	8	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	109.6420	0.000	1	109.0101	0.164	8	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	108.9903	0.268	3	109.0101	0.164	8	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	109.2000	0.000	1	109.1737	0.106	3	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.8350	0.000	1	109.1737	0.106	3	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	109.4860	0.000	1	109.1737	0.106	3	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.7010	0.000	1	108.7010	0.000	1	109.1015	0.214	14	109.1015	0.214	14	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-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]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H){2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){2|C<4>,5|H<1>}	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:1:	4:4:4:2:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H){2|C<4>,2|H<1>,3|O<2>}	106.4590	0.000	1	106.4590	0.000	1	106.4590	0.000	1	106.4590	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:2:	4:3:4:4:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:C-4:	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)	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2	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>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	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>}	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	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>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	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>}	107.0870	0.000	1	106.8677	0.037	3	106.8677	0.037	3	107.0173	0.172	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	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>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	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>}	106.7580	0.044	2	106.8677	0.037	3	106.8677	0.037	3	107.0173	0.172	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	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>}	106.5400	0.000	1	107.1670	0.325	3	107.1670	0.325	3	107.0173	0.172	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:2:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1: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)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	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>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	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>}	107.4805	0.245	2	107.1670	0.325	3	107.1670	0.325	3	107.0173	0.172	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:3:	4:4:3:2:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1: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]HH)(CCHH)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<2>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,6|H<1>}	106.7960	0.000	1	106.7960	0.000	1	106.5453	0.479	4	107.1547	2.022	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,1|O<2>,5|H<1>}	105.6290	0.000	1	105.6290	0.000	1	106.5453	0.479	4	107.1547	2.022	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	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]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,3|H<1>}	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>}	106.8780	0.559	2	106.8780	0.312	2	106.5453	0.479	4	107.1547	2.022	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H){1|O<1>,3|H<1>,4|C<4>}	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<3>,4|C<4>,6|H<1>}	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	107.1547	2.022	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	108.9655	1.118	2	108.9655	1.250	2	108.9655	1.250	2	107.1547	2.022	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|O<2>,5|C<4>,6|H<1>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	109.3505	1.133	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	109.3505	1.133	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	2:4:4:4:	4:4:4:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H)	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	109.2265	0.545	2	109.2265	0.297	2	109.2265	0.297	2	109.2265	0.297	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H)	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]H)2{2|Br<1>,2|H<1>,3|C<3>}	108.2195	1.388	2	108.2195	1.927	2	108.2195	1.927	2	108.0620	1.100	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]H)2{3|H<1>,4|C<3>}	107.1060	0.000	1	107.1060	0.000	1	107.9045	1.275	2	108.0620	1.100	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H){3|C<3>,3|H<1>}	108.7030	0.000	1	108.7030	0.000	1	107.9045	1.275	2	108.0620	1.100	4	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	4:4:1:1:	4:4:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H)	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	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>}	108.3220	0.594	2	108.3220	0.353	2	108.3220	0.353	2	108.3220	0.353	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	4:4:3:3:	4:3:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:N[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]HH)(COO)2	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	106.3268	0.517	5	106.3268	0.267	5	106.3268	0.267	5	106.3268	0.267	5	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:2:4:1:	4:4:3:3:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[5,6]HH)(COO)2	O[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[5,6]HH)(COO)2{1|H<1>,2|C<3>,2|C<4>}	O[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[6]H){1|H<1>,3|C<4>,5|C<3>}	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:4:2:1:	4:3:1:1:	4:4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2{2|C<4>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H){2|H<1>,4|C<3>}	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:4:2:1:	4:3:3:1:	4:4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]H)2{3|H<1>,4|C<3>}	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	3:4:2:3:	4:3:3:1:	4:4:	C[5,6a]-3:C[6]-4:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H)	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6]){1|H<1>,9|C<3>}	105.0405	0.650	2	105.0405	0.422	2	105.0405	0.422	2	105.0405	0.422	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:1:	4:3:1:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2{1|N<3>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,4|H<1>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H)	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H){1|H<1>,2|C<4>}	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	109.5924	1.490	17	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H)	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H){1|H<1>,2|C<4>}	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	108.3997	0.592	4	108.3997	0.351	4	109.4256	1.687	9	109.5924	1.490	17	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,2|C<4>}	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	110.2462	1.103	5	110.2462	1.217	5	109.4256	1.687	9	109.5924	1.490	17	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	109.7702	1.400	6	109.7702	1.961	6	109.7702	1.961	6	109.5924	1.490	17	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	109.5924	1.490	17	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H){3|C<4>,4|H<1>}	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:4:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C){1|C<4>,1|N<2>,2|H<1>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:2:4:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C){1|C<4>,2|O<2>,4|H<1>}	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.0270	0.000	1	105.0270	0.000	1	104.8033	0.285	3	104.8033	0.285	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	104.1940	0.000	1	104.6915	0.495	2	104.8033	0.285	3	104.8033	0.285	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:3:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	105.1890	0.000	1	104.6915	0.495	2	104.8033	0.285	3	104.8033	0.285	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,5|H<1>}	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	106.6260	0.520	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:1:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2	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]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2{3|C<3>,4|C<4>}	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>}	106.1160	0.000	1	106.1160	0.000	1	106.1160	0.000	1	106.6260	0.520	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	110.0320	0.325	2	110.0320	0.106	2	110.0320	0.106	2	109.6503	0.490	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	109.6503	0.490	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:3:	4:3:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.8500	0.000	1	103.8500	0.000	1	103.8500	0.000	1	103.8500	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:4:	4:3:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	108.9650	7.707	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:3:4:	4:4:1:1:	4:4:	P[5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5])	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2{1|Se<1>,1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5]){1|Se<1>,1|C<4>,4|H<1>,5|C<3>}	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	108.9650	7.707	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	3:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|C<3>,5|H<1>}	107.1965	0.173	2	107.0466	0.658	58	107.0466	0.658	58	107.0466	0.658	58	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	3:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	107.0453	0.839	53	107.0466	0.658	58	107.0466	0.658	58	107.0466	0.658	58	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	3:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	106.9703	0.618	3	107.0466	0.658	58	107.0466	0.658	58	107.0466	0.658	58	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<2>,4|H<1>}	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	108.6212	0.681	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,4|H<1>}	109.0807	0.370	3	109.0807	0.137	3	109.0807	0.137	3	108.6212	0.681	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,3|C<3>,4|H<1>}	107.4170	0.000	1	107.4170	0.000	1	108.2841	0.562	8	108.6212	0.681	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	108.6950	0.000	1	108.6950	0.000	1	108.2841	0.562	8	108.6212	0.681	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	109.0440	0.701	2	109.0440	0.492	2	108.2841	0.562	8	108.6212	0.681	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|C<3>,4|H<1>}	108.0182	0.602	4	108.0182	0.362	4	108.2841	0.562	8	108.6212	0.681	12	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	109.3100	1.442	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	109.3100	1.442	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	3:4:4:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	105.8723	1.069	3	105.8723	1.142	3	105.8723	1.142	3	105.8723	1.142	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:2:1:1:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1: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]O[6]FH)(H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H)	O[5,6](C[5,6]C[3,5]C[6]H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H){1|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[3,5]C[6]H)2{1|F<1>,2|O<2>,5|H<1>}	106.5014	1.264	5	106.5014	1.597	5	106.5014	1.597	5	106.7504	0.809	10	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:2:1:1:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1: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]O[6]HH)(H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2	O[5,6](C[5,6]C[3,5]C[6]H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H){1|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2{1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[3,5]C[6]H)2{1|F<1>,2|O<2>,5|H<1>}	106.9994	0.263	5	106.9994	0.069	5	106.9994	0.069	5	106.7504	0.809	10	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){2|C<4>,3|C<3>,5|H<1>}	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.3480	0.759	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	109.7300	0.000	1	108.5785	2.652	2	108.5785	2.652	2	108.3480	0.759	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	107.4270	0.000	1	108.5785	2.652	2	108.5785	2.652	2	108.3480	0.759	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{3|C<3>,5|H<1>}	108.4640	0.723	2	108.4640	0.522	2	108.4640	0.522	2	108.3480	0.759	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,4|H<1>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	108.3480	0.759	6	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:2:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H){2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	110.7003	1.774	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H){2|O<2>,3|C<3>,3|H<1>}	111.4680	0.107	2	111.4680	0.012	2	111.4680	0.012	2	110.7003	1.774	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:4:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H)	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5,6]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.3001	0.839	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:4:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	109.1110	0.219	2	109.1110	0.048	2	109.1110	0.048	2	108.3001	0.839	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:4:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	106.5170	0.000	1	107.2280	1.011	2	107.9948	1.009	5	108.3001	0.839	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:4:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	107.9390	0.000	1	107.2280	1.011	2	107.9948	1.009	5	108.3001	0.839	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:3:4:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.5060	0.730	3	108.5060	0.532	3	107.9948	1.009	5	108.3001	0.839	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	109.0450	0.000	1	109.0450	0.000	1	108.8775	0.056	2	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	108.7100	0.000	1	108.7100	0.000	1	108.8775	0.056	2	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,4|H<1>}	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|N<3>,4|H<1>}	107.9810	1.463	4	107.9810	2.140	4	107.5202	1.807	6	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	106.5985	0.255	2	106.5985	0.065	2	107.5202	1.807	6	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	105.7000	0.000	1	105.7000	0.000	1	105.7000	0.000	1	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	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[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	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>}	107.7675	0.043	2	107.7675	0.002	2	107.9187	0.069	3	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	108.2210	0.000	1	108.2210	0.000	1	107.9187	0.069	3	107.8102	1.536	13	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	107.9432	0.721	5	107.9432	0.520	5	107.9432	0.520	5	108.2473	0.855	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	109.8530	0.000	1	109.8530	0.000	1	109.0075	1.430	2	108.2473	0.855	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	108.1620	0.000	1	108.1620	0.000	1	109.0075	1.430	2	108.2473	0.855	7	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,7|H<1>}	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:4:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H)	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,4|C<4>}	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	107.4440	1.150	2	107.4440	1.322	2	107.4440	1.322	2	107.4440	1.322	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){2|C<4>,2|O<2>,3|H<1>}	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:2:	4:3:4:4:	4:4:	C[3,5]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:C-4:	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)	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2	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>}	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	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>}	106.3580	0.000	1	106.3580	0.000	1	106.3580	0.000	1	106.3580	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:S-2:	C[5,6]-4:C[6,6]-4:S-2:H-1:	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)	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H)	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>}	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H){1|C<3>,4|C<4>,4|H<1>}	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>}	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:3:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	106.9140	0.000	1	106.9140	0.000	1	106.9140	0.000	1	106.9140	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|S<2>,3|C<4>}	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C){1|C<3>,2|S<2>,3|C<4>,3|H<1>}	107.4610	0.514	3	107.4610	0.265	3	107.4610	0.265	3	107.4794	0.094	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4x5,3x6]-4:C[5,6]-4:	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2	O[5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]C[5,5,6])(C[5,6]C[5]C[6]C)	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	O[5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]C[5,5,6])(C[5,6]C[5]C[6]C){1|C<3>,5|C<4>,6|H<1>}	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.4794	0.094	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C){2|C<4>,3|O<2>,4|H<1>}	107.4060	0.000	1	107.4060	0.000	1	107.4105	0.000	2	107.4794	0.094	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	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>}	107.4150	0.000	1	107.4150	0.000	1	107.4105	0.000	2	107.4794	0.094	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2{3|H<1>,6|C<4>}	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C){3|C<4>,6|H<1>}	107.4355	0.182	2	107.4355	0.033	2	107.4355	0.033	2	107.4794	0.094	8	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.0790	0.000	1	106.5117	0.864	3	106.5117	0.864	3	106.5117	0.864	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<2>,2|C<4>,6|H<1>}	106.2280	1.116	2	106.5117	0.864	3	106.5117	0.864	3	106.5117	0.864	3	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:3:2:3:	4:3:1:1:	4:4:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6,6a]-3:Cl-1:Cl-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C)	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2{1|C<4>,1|H<1>,6|C<3>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C){2|Cl<1>,1|H<1>,5|C<3>}	102.9785	0.077	2	102.9785	0.006	2	102.9785	0.006	2	102.9785	0.006	2	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:4:2:1:	4:3:1:1:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,2|O<2>,4|H<1>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:4:2:1:	4:3:2:1:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	105.3320	0.000	1	105.3320	0.000	1	105.3320	0.000	1	105.3320	0.000	1	108.0698	2.416	414	107.9361	2.591	542
474	466	976	6:SP3_SP3_SP3	C[5,6]	C[6]	O[5,6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	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]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	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>}	107.9260	0.351	5	107.9260	0.123	5	107.9260	0.123	5	107.9260	0.123	5	108.0698	2.416	414	107.9361	2.591	542