474	474	888	5:SP3_SP2_SP3	C[5]	C[5]	Se[5,5]	3:4:1:1:	4:4:1:1:	3:4:4:	Se[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	Se[5,5]-3:C[5]-4:C[5]-4:	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](C[5]Se[5,5]HH)2(H)2	Se[5,5](Se[5,5]C[5]2)(C[5]C[5]HH)2	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](C[5]Se[5,5]HH)2(H)2{2|C<4>}	Se[5,5](Se[5,5]C[5]2)(C[5]C[5]HH)2{8|H<1>}	110.5585	2.289	4	110.5585	5.241	4	110.5585	5.241	4	110.5585	5.241	4	110.5585	5.241	4	110.5585	5.241	4
474	474	891	0:SP3_SP2_SP3	C[3x5]	C[3x5]	S[5]	4:4:2:3:	4:4:2:3:	4:3:	C[3x5]-4:C[5,5]-4:S[5]-2:C[5]-3:	C[3x5]-4:C[5,5]-4:S[5]-2:C[5]-3:	C[3x5]-4:C[5,6a]-3:	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O)	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O)	S[5](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	S[5](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|N<3>}	113.1720	0.721	2	113.1720	0.520	2	113.1720	0.520	2	113.1720	0.520	2	113.1720	0.520	2	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	3:4:4:3:	4:3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	S[5](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	117.7747	0.191	4	117.7747	0.036	4	117.7747	0.036	4	117.7434	0.032	5	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	3:4:4:3:	4:3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	S[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	117.7434	0.032	5	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	4:4:3:1:	4:3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	S[5](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	S[5](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	4:4:3:4:	4:3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO)	S[5](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	S[5](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	119.3930	0.491	2	119.3930	0.241	2	119.3930	0.241	2	119.3930	0.241	2	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	4:4:4:3:	4:3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	S[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C){1|S<3>,4|C<4>}	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:4:	3:4:3:3:	3:4:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	109.9480	0.000	1	110.1040	0.049	5	110.1040	0.049	5	110.1040	0.049	5	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:4:	3:4:3:3:	3:4:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	110.1430	0.234	4	110.1040	0.049	5	110.1040	0.049	5	110.1040	0.049	5	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:4:	4:3:3:3:	3:4:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	S[5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	S[5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:3:2:	3:4:4:3:	3:4:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	112.0520	0.604	2	112.0520	0.365	2	112.0520	0.365	2	112.0520	0.365	2	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:4:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[5]-4:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:3:4:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O)	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	111.2560	0.000	2	111.2560	0.000	2	111.2560	0.000	2	111.2560	0.000	2	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	111.6260	0.307	3	111.4535	0.182	4	111.4535	0.182	4	111.4535	0.182	4	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	110.9360	0.000	1	111.4535	0.182	4	111.4535	0.182	4	111.4535	0.182	4	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	111.3560	0.235	2	111.3560	0.055	2	111.3560	0.055	2	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	111.1313	0.227	3	111.8359	0.333	13	111.8359	0.333	13	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	111.7890	0.267	2	111.8359	0.333	13	111.8359	0.333	13	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	112.8110	0.000	1	111.8359	0.333	13	111.8359	0.333	13	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	111.9503	0.447	6	111.8359	0.333	13	111.8359	0.333	13	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	112.3820	0.000	1	111.8359	0.333	13	111.8359	0.333	13	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.6890	0.000	1	110.5715	1.558	2	111.6646	1.954	5	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.4540	0.000	1	110.5715	1.558	2	111.6646	1.954	5	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.3890	0.000	1	111.3890	0.000	1	111.6646	1.954	5	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.8955	0.873	2	112.8955	0.763	2	111.6646	1.954	5	111.7451	0.648	20	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	116.5500	0.000	1	116.1285	0.355	2	116.1285	0.355	2	116.1285	0.355	2	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:3:2:	3:4:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	115.7070	0.000	1	116.1285	0.355	2	116.1285	0.355	2	116.1285	0.355	2	112.9768	8.680	46	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,6]	S[5]	4:3:2:1:	3:4:4:1:	4:3:	C[5,6]-4:C[5,5]-3:S[5]-2:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	S[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	S[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	115.9065	14.582	6	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,6]	S[5]	4:3:2:1:	4:4:4:3:	4:3:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	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)	S[5](C[5,5]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	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>}	S[5](C[5,5]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	116.3260	1.140	4	116.3260	1.300	4	116.3260	1.300	4	116.3260	1.300	4	115.9065	14.582	6	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5,6]	S[5]	4:4:3:2:	3:4:4:1:	3:4:	C[5,6]-4:C[5]-4:C[5]-3:S[5]-2:	N[5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	115.9065	14.582	6	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	3:2:4:1:	4:4:3:1:	3:4:	N[5,5]-3:S[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	119.8730	0.187	2	119.8730	0.035	2	119.8730	0.035	2	119.8730	0.035	2	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	3:2:4:3:	4:3:4:3:	3:4:	N[5]-3:S[5]-2:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C){1|N<2>,3|C<3>}	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO){1|C<4>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	3:3:2:4:	4:4:3:1:	4:3:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H)	S[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,5|C<3>}	S[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	113.5412	2.486	4	113.5412	6.181	4	113.5412	6.181	4	113.5412	6.181	4	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	3:4:2:2:	3:4:1:1:	4:3:	C[5]-3:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H)	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2{2|H<1>,4|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2{1|S<2>,4|C<3>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H){3|C<3>,3|H<1>}	110.0425	0.414	2	110.0425	0.171	2	110.0425	0.171	2	110.0425	0.171	2	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	115.5410	0.000	1	115.5410	0.000	1	115.5410	0.000	1	115.5410	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:2:4:1:	4:3:4:2:	3:4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:O-2:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH){1|O<1>,1|O<2>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:2:	3:4:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2	S[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5]){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:2:	4:3:3:1:	3:4:	C[5]-4:C[5]-3:S[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5]){5|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5]){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	117.4160	0.586	3	117.4160	0.343	3	117.4160	0.343	3	117.4160	0.343	3	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:2:	4:3:3:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5])	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	S[5](C[5,5]C[5]2O[5])(C[5]N[5]O)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5]2O[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:4:	4:4:3:1:	3:4:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	S[5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2N[5])(C[5]N[5,5a]O)(S[5]C[5,5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	109.6910	0.249	6	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:2:4:	4:4:3:1:	3:4:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	109.8122	0.448	5	109.8122	0.201	5	109.8122	0.201	5	109.6910	0.249	6	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:3:2:	4:3:4:1:	3:4:	C[5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	116.2710	0.000	1	116.2710	0.000	1	116.2710	0.000	1	116.2710	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:3:2:	4:3:4:3:	4:3:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5])	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO)	S[5](C[5,5]C[5]2N[5])(C[5]C[5]H)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO){1|C<4>,4|C<3>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]H){1|N<3>,3|C<3>,3|C<4>}	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:3:4:2:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-3:C[5]-4:S[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2	S[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H){1|S<1>,5|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S){2|C<4>,4|H<1>}	112.8210	0.000	1	112.8210	0.000	1	112.8210	0.000	1	112.8210	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:2:3:3:	3:4:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-2:C-3:C-3:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(COO)2	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(COO)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:3:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	S[5](C[5,5]C[5]3)(C[5]N[5]S)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	S[5](C[5,5]C[5]3)(C[5]N[5]S){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:3:3:	3:4:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5]H)(COO)2	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5]H)(COO)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	110.2840	0.095	2	110.2840	0.009	2	110.2840	0.009	2	110.2840	0.009	2	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	115.1070	0.000	1	115.1070	0.000	1	115.5150	0.836	4	113.6771	5.695	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	115.5565	1.494	2	115.6510	1.143	3	115.5150	0.836	4	113.6771	5.695	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	3:4:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5,5]C[5]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	115.8400	0.000	1	115.6510	1.143	3	115.5150	0.836	4	113.6771	5.695	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	111.3810	0.000	1	111.2267	0.069	3	111.2267	0.069	3	113.6771	5.695	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	3:4:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	111.1495	0.319	2	111.2267	0.069	3	111.2267	0.069	3	113.6771	5.695	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	116.7000	0.206	2	116.7000	0.043	2	116.7000	0.043	2	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	114.9780	1.181	2	116.3912	1.310	13	116.3912	1.310	13	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	116.6970	2.081	3	116.3912	1.310	13	116.3912	1.310	13	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	116.7272	0.361	6	116.3912	1.310	13	116.3912	1.310	13	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	116.5080	0.000	1	116.3912	1.310	13	116.3912	1.310	13	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,6]N[5,6]N[6]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	116.1680	0.000	1	116.3912	1.310	13	116.3912	1.310	13	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.9150	1.287	2	115.9150	1.656	2	115.9150	1.656	2	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H)	S[5](C[5,5]C[5]3)(C[5]N[5]S)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5]3)(C[5]N[5]S){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	115.7380	0.000	1	115.7380	0.000	1	115.7380	0.000	1	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	S[5](C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	S[5](C[5,5]C[5]3)(C[5]N[5]O){1|C<3>,1|N<4>,1|O<1>,2|C<4>,3|H<1>}	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	116.2577	1.142	19	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2	S[5](C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S[5](C[5,5]C[5]3)(C[5]N[5]O){1|C<3>,1|N<4>,1|O<1>,2|C<4>,3|H<1>}	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:3:1:	3:4:	C[5,6]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	116.2910	0.000	2	116.2910	0.000	2	116.2910	0.000	2	115.8631	5.604	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	115.6620	0.000	1	116.1695	0.515	2	116.1695	0.515	2	115.8631	5.604	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	116.6770	0.000	1	116.1695	0.515	2	116.1695	0.515	2	115.8631	5.604	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	110.9790	0.000	1	110.9790	0.000	1	115.3737	15.918	3	115.8631	5.604	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	118.7680	0.000	1	117.5710	2.866	2	115.3737	15.918	3	115.8631	5.604	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H)	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	116.3740	0.000	1	117.5710	2.866	2	115.3737	15.918	3	115.8631	5.604	7	114.3661	9.245	65	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	3:4:2:4:	3:4:2:4:	3:4:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3){1|C<4>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	111.4718	0.424	4	111.4718	0.180	4	111.4718	0.180	4	111.4718	0.180	4	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	3:4:2:4:	4:3:2:4:	3:4:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){2|C<4>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	111.2325	0.749	2	111.2325	0.561	2	111.2325	0.561	2	111.2325	0.561	2	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:2:2:2:	4:2:2:2:	4:3:	C[5,6]-4:O[6]-2:S[5]-2:S[5]-2:	C[5,6]-4:O[6]-2:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H)	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2{2|H<1>,4|C<3>}	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2{2|H<1>,4|C<3>}	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|O<2>,2|S<2>}	111.6711	2.139	16	111.6711	4.575	16	111.6711	4.575	16	111.6711	4.575	16	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	3:4:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH){1|C<4>,5|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|S<2>,2|C<4>,4|C<3>}	114.4185	0.139	2	114.4185	0.019	2	114.4185	0.019	2	114.4185	0.019	2	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH){1|C<4>,1|H<1>,4|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	113.3040	0.462	2	113.3040	0.214	2	114.5104	1.667	14	114.5104	1.667	14	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	S[5](C[5,6]C[5,6]2C)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|H<1>,2|C<4>,3|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[5]C){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	113.4955	0.209	2	113.4955	0.044	2	114.5104	1.667	14	114.5104	1.667	14	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Fe)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Fe<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Fe<8>,1|C<4>,1|H<1>,3|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Fe){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	115.0440	0.751	2	115.0440	0.564	2	114.5104	1.667	14	114.5104	1.667	14	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Ru)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[5]Ru){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	114.6710	0.676	2	114.6710	0.457	2	114.5104	1.667	14	114.5104	1.667	14	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	114.1020	0.319	4	114.1020	0.102	4	114.5104	1.667	14	114.5104	1.667	14	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){1|N<2>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){2|N<2>,3|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5]){1|C<4>,1|S<2>,4|C<3>}	118.0450	0.000	1	116.8545	2.835	2	114.5104	1.667	14	114.5104	1.667	14	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:4:	4:3:2:4:	4:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){2|N<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){1|N<2>,1|S<2>,3|C<3>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5]){1|C<4>,1|S<2>,4|C<3>}	115.6640	0.000	1	116.8545	2.835	2	114.5104	1.667	14	114.5104	1.667	14	112.8177	4.593	38	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5]	C[5,5]	S[5]	4:2:2:1:	3:4:4:4:	3:4:	C[5,5]-4:S[5]-2:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S[5]H){1|H<1>,2|C<4>,3|C<3>}	114.4085	0.320	2	114.4085	0.103	2	114.4085	0.103	2	114.4085	0.103	2	114.4085	0.103	2	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:1:	3:4:3:2:	4:3:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	S[5](C[5]C[5]2H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	111.7670	0.160	2	111.7670	0.026	2	111.7670	0.026	2	111.7670	0.026	2	110.5517	3.227	8	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:1:	4:3:3:2:	4:3:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH)	S[5](C[5]C[5]2H)(C[5]N[5]N)	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H){1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH){1|N<2>,1|O<1>,3|C<3>}	S[5](C[5]C[5]2H)(C[5]N[5]N){1|O<1>,1|O<2>,2|C<3>}	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	110.5517	3.227	8	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:4:	3:4:3:3:	3:4:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	S[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|N<3>,1|O<1>,4|C<3>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	110.5517	3.227	8	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:4:	3:4:3:3:	4:3:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	S[5](C[5]C[5]2C)(C[5]N[5]S)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,1|S<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5]C[5]2C)(C[5]N[5]S){1|N<3>,1|O<1>,3|C<3>}	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	110.5517	3.227	8	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:4:	4:4:3:1:	3:4:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	S[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	110.5517	3.227	8	113.4899	8.635	167
474	474	891	0:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:3:2:	4:3:3:2:	4:3:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	S[5](C[5]C[6a]C[5]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	S[5](C[5]C[6a]C[5]2)(C[5]C[5]O){1|H<1>,1|S<2>,5|C<3>}	108.8365	0.685	2	108.8365	0.469	2	108.8365	0.469	2	108.8365	0.469	2	110.5517	3.227	8	113.4899	8.635	167
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	S[5]	4:3:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	117.6885	0.220	2	118.8770	1.854	5	118.8770	1.854	5	118.8770	1.854	5	118.8770	1.854	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	S[5]	4:3:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	119.6693	1.153	3	118.8770	1.854	5	118.8770	1.854	5	118.8770	1.854	5	118.8770	1.854	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5]	3:4:2:2:	4:4:2:1:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,6]-4:C-2:H-1:	C[3x5,6]-4:C[5]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|C<3>,1|O<1>,6|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H){2|C<3>,2|C<4>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	117.5935	1.647	2	117.5935	2.712	2	117.5935	2.712	2	117.5935	2.712	2	116.9840	1.794	7	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5]	3:4:2:2:	4:4:3:1:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H){2|C<3>,2|C<4>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	117.7060	3.211	2	116.9840	1.794	7	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5]	3:4:2:2:	4:4:3:1:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,6]-4:N-3:H-1:	C[3x5,6]-4:C[5]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){2|C<4>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.9730	0.000	1	118.9730	0.000	1	118.9730	0.000	1	117.7060	3.211	2	116.9840	1.794	7	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5]	4:3:2:2:	4:2:3:3:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	115.7850	0.000	1	116.0963	0.347	3	116.0963	0.347	3	116.0963	0.347	3	116.9840	1.794	7	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5]	4:3:2:2:	4:2:3:3:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	115.7280	0.000	1	116.0963	0.347	3	116.0963	0.347	3	116.0963	0.347	3	116.9840	1.794	7	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5]	4:3:2:2:	4:2:3:3:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	116.7760	0.000	1	116.0963	0.347	3	116.0963	0.347	3	116.0963	0.347	3	116.9840	1.794	7	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	S[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[4,5,6]-4:S[5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H)	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[4,5,6]S[5]2)(H){1|O<1>,4|C<4>,5|H<1>}	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	111.6885	4.830	2	111.6885	23.331	2	111.6885	23.331	2	111.6885	23.331	2	111.6885	23.331	2	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH){1|O<2>,2|C<4>,2|H<1>}	113.8995	0.500	2	113.8995	0.250	2	113.8995	0.250	2	113.8995	0.250	2	113.5478	4.495	4	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:S[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	S[5](C[5,5,6]C[5,5,6]2H)(S[5]S[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	S[5](C[5,5,6]C[5,5,6]2H)(S[5]S[5]O){1|C<3>,1|H<1>,3|C<4>}	115.7200	0.000	1	115.7200	0.000	1	115.7200	0.000	1	115.7200	0.000	1	113.5478	4.495	4	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5]	4:4:3:2:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:S[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	S[5](C[5,5,6]C[5,5,6]2C[6a])(S[5]S[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<2>,1|S<3>,2|C<3>,4|H<1>}	S[5](C[5,5,6]C[5,5,6]2C[6a])(S[5]S[5]O){2|C<3>,2|H<1>,3|C<4>}	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	113.5478	4.495	4	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5]	4:2:4:1:	4:4:3:1:	5:4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x3,4,4x5,14x6]-5:C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H)	S[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CCO)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	S[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(C[5,5,6]C[3x5,6]C[5,6]H){1|C<5>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	117.4570	0.000	1	117.4570	0.000	1	116.6257	2.999	3	116.6257	2.999	3	115.5908	3.712	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5]	4:2:4:1:	4:4:3:1:	5:4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[3x3,4,4x5,14x6]-5:C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	S[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	S[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(C[5,5,6]C[3x5,6]C[5,6]H){1|C<5>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	116.2100	2.227	2	116.2100	4.961	2	116.6257	2.999	3	116.6257	2.999	3	115.5908	3.712	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5]	4:2:4:1:	4:4:3:1:	6:4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5x3,6x5,20x6]-6:C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H)	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[5]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,5,6]C[3x5,6]C[5,6]H){2|C<3>,2|C<4>,5|B<6>,5|H<1>}	114.6780	0.000	1	114.6780	0.000	1	114.0385	0.818	2	114.0385	0.818	2	115.5908	3.712	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5]	4:2:4:1:	4:4:3:1:	6:4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5x3,6x5,20x6]-6:C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H)	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[5,6](C[5,5,6]C[3x5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(CC[6a]O)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,5,6]C[3x5,6]C[5,6]H){2|C<3>,2|C<4>,5|B<6>,5|H<1>}	113.3990	0.000	1	113.3990	0.000	1	114.0385	0.818	2	114.0385	0.818	2	115.5908	3.712	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	3:4:2:1:	4:4:1:1:	4:4:	N[5,5]-3:C[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2{1|O<1>,2|C<4>}	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	116.5500	0.000	1	116.5500	0.000	1	116.5500	0.000	1	116.5500	0.000	1	112.7573	3.742	14	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	3:4:2:2:	4:4:3:1:	4:4:	C[5,5a]-3:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H)	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>}	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.5615	0.999	4	112.5615	0.999	4	112.5615	0.999	4	112.5615	0.999	4	112.7573	3.742	14	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	4:3:2:1:	4:4:3:1:	4:4:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	115.2810	0.000	1	114.9390	0.234	2	114.9390	0.234	2	114.9390	0.234	2	112.7573	3.742	14	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	4:3:2:1:	4:4:3:1:	4:4:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	114.5970	0.000	1	114.9390	0.234	2	114.9390	0.234	2	114.9390	0.234	2	112.7573	3.742	14	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	4:3:3:2:	4:3:3:4:	4:4:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5])	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)	C[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC){1|O<2>,2|C<4>,4|C<3>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	112.7573	3.742	14	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]HH)2(S[5]C[5])2	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]HH)2(S[5]C[5])2{2|C<4>,6|H<1>}	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2{3|C<4>,3|H<1>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	112.0597	1.274	4	112.0597	1.622	4	112.0597	1.622	4	112.0597	1.622	4	112.7573	3.742	14	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	4:4:3:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:N[5]-3:S[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]HH)2(N[5]C[5]N)(S[5]C[5])	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2	S[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]HH)2(N[5]C[5]N)(S[5]C[5]){1|O<1>,6|H<1>}	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	111.1010	2.728	2	111.1010	7.442	2	111.1010	7.442	2	111.1010	7.442	2	112.7573	3.742	14	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:1:	4:3:4:1:	4:4:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H)	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.6330	0.420	2	109.6330	0.176	2	109.6330	0.176	2	109.6330	0.176	2	111.3204	3.490	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:1:	4:4:2:1:	4:4:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H)	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H){1|B<3>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.0320	0.000	1	114.0320	0.000	1	114.0320	0.000	1	114.0320	0.000	1	111.3204	3.490	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(S[5]C[5])2	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	111.6520	0.720	2	111.6520	0.518	2	111.6520	0.518	2	111.6520	0.518	2	111.3204	3.490	5	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:2:1:	4:4:	N[5,6]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H)	S[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H){2|C<3>,2|C<4>}	S[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	111.4305	0.629	2	111.4305	0.395	2	111.4305	0.395	2	111.4305	0.395	2	110.6930	3.774	8	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:S[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H)	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	S[5](C[5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>}	S[5](C[5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	110.6930	3.774	8	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:2:4:	4:2:2:4:	4:4:	C[5]-4:S[5]-2:S[5]-2:C-4:	C[5]-4:S[5]-2:S[5]-2:C-4:	C[5]-4:C[5]-4:	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3)	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3)	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3){2|C<4>,4|H<1>}	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3){2|C<4>,4|H<1>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){1|C<4>,2|H<1>,2|S<2>}	109.6238	1.915	4	109.6238	3.667	4	109.6238	3.667	4	109.6238	3.667	4	110.6930	3.774	8	113.7909	10.349	50
474	474	891	0:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:3:2:1:	4:4:2:1:	4:4:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H)	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	110.6930	3.774	8	113.7909	10.349	50
474	474	891	5:SP3_SP2_SP3	C[3x5]	C[5,5]	S[5]	4:4:2:3:	4:3:3:3:	4:3:	C[3x5]-4:C[5,5]-4:S[5]-2:C[5]-3:	C[3x5]-4:C[5,6a]-3:N[5]-3:N-3:	C[3x5]-4:C[5,6a]-3:	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O)	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH)	S[5](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH){1|N<2>,1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>}	S[5](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|N<3>}	107.4990	0.040	2	107.4990	0.002	2	107.4990	0.002	2	107.4990	0.002	2	107.4990	0.002	2	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	S[5,6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O){1|N<3>,5|H<1>}	103.0960	0.246	2	103.0960	0.061	2	103.0960	0.061	2	103.0960	0.061	2	103.0960	0.061	2	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	3:4:2:1:	3:4:2:1:	4:3:	C[5,6a]-3:C[5,5]-4:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H)	S[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H){1|Br<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H){1|Br<1>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:2:3:1:	3:4:3:2:	3:4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	108.9105	0.419	4	108.9460	0.138	5	108.9460	0.138	5	108.9460	0.138	5	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:2:3:1:	3:4:3:2:	3:4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	109.0880	0.000	1	108.9460	0.138	5	108.9460	0.138	5	108.9460	0.138	5	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:2:4:1:	3:4:3:2:	3:4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:2:4:1:	3:4:4:3:	3:4:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO){1|C<4>,2|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:3:3:2:	4:3:4:1:	4:3:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a])	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	S[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a]){1|C<4>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	S[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	103.6280	0.000	1	103.6280	0.000	1	103.6280	0.000	1	103.6280	0.000	1	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:S[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	S[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(S[5]C[5])(H){1|S<1>,5|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|S<1>,4|H<1>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S){2|C<4>,4|H<1>}	106.1690	0.000	1	106.1690	0.000	1	106.1690	0.000	1	106.1690	0.000	1	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,5]	C[5,5]	S[5]	6:4:4:2:	4:2:3:1:	4:3:	C[5x3,6x5,20x6]-6:C[5,5]-4:C[5]-4:S[5]-2:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5])	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H)	S[5](C[5,5]C[5x3,6x5,20x6]C[5,5]C[5])(C[5]C[5]2)	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5]){3|C<4>,5|B<6>,7|H<1>}	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H){1|Fe<10>,3|C<4>,6|B<6>}	S[5](C[5,5]C[5x3,6x5,20x6]C[5,5]C[5])(C[5]C[5]2){2|Fe<10>,1|C<6>,1|S<2>,2|H<1>,4|B<6>,4|C<4>}	105.7240	0.000	1	105.7240	0.000	1	105.7240	0.000	1	105.7240	0.000	1	107.7485	3.286	11	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	S[5]	4:3:2:1:	4:3:3:3:	4:3:	C[5,5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	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]H)(S[5]C[5])(H)	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H)	S[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H){2|H<1>,5|C<3>}	S[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C){1|B<4>,1|H<1>,3|C<3>}	101.9945	0.173	2	101.9945	0.030	2	101.9945	0.030	2	101.9945	0.030	2	101.9945	0.030	2	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:2:2:1:	4:2:2:1:	4:3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O){1|Cl<1>,1|C<3>,1|S<2>}	108.2840	0.000	1	107.5525	1.070	2	107.5525	1.070	2	107.5525	1.070	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:2:2:1:	4:2:2:1:	4:3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O){1|Cl<1>,1|C<4>,1|S<2>}	106.8210	0.000	1	107.5525	1.070	2	107.5525	1.070	2	107.5525	1.070	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:2:2:1:	4:3:2:2:	4:3:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	S[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	S[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C){1|O<2>,2|C<3>}	103.1340	0.000	1	103.1340	0.000	1	103.1340	0.000	1	103.1340	0.000	1	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:2:2:1:	4:4:2:1:	4:3:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	S[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]N)	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	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>}	S[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]N){1|H<1>,2|C<4>}	102.4890	0.000	1	102.4890	0.000	1	102.4890	0.000	1	102.4890	0.000	1	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:2:3:1:	3:4:4:4:	3:4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	S[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)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>}	106.9630	0.000	1	106.7610	0.082	2	106.7610	0.082	2	106.7610	0.082	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:2:3:1:	3:4:4:4:	3:4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	S[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)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,2|C<3>,4|C<4>}	106.5590	0.000	1	106.7610	0.082	2	106.7610	0.082	2	106.7610	0.082	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:1:	3:4:2:4:	4:3:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	105.5390	0.240	2	105.5390	0.058	2	105.5390	0.058	2	105.5390	0.058	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:3:2:1:	4:3:3:1:	4:3:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	S[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]Cl)(S[5]C[5])(H){2|Cl<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	3:4:2:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2: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)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	S[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)(S[5]C[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	103.7060	0.000	2	103.5245	0.409	17	103.5396	0.389	18	103.5396	0.389	18	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	3:4:2:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2: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)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	S[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)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,2|H<1>,2|N<3>}	103.2815	0.669	11	103.5245	0.409	17	103.5396	0.389	18	103.5396	0.389	18	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	3:4:2:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2: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)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	S[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)(S[5]C[5])(H){1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	104.1020	0.091	4	103.5245	0.409	17	103.5396	0.389	18	103.5396	0.389	18	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	3:4:2:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2: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)(S[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	S[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)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){2|N<3>,3|H<1>}	103.7960	0.000	1	103.7960	0.000	1	103.5396	0.389	18	103.5396	0.389	18	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	3:4:3:2:	3:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,5a]-3:C[5,6]-4:	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	S[5](C[5,5a]N[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H){1|C<2>,1|N<2>,6|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5,6]C[5,6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	107.1480	0.653	2	107.1480	0.427	2	107.1480	0.427	2	107.1480	0.427	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:2:4:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	S[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]C)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	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>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]S){2|H<1>,3|C<4>}	103.1940	0.000	1	103.1940	0.000	1	103.1940	0.000	1	103.1940	0.000	1	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3: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)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<2>,4|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N){1|S<4>,2|C<4>,3|H<1>}	105.5990	0.000	1	105.5990	0.000	1	105.0170	0.677	2	105.0170	0.677	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3: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)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]S)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|S<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<1>,4|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]S){1|S<4>,2|C<4>,3|H<1>}	104.4350	0.000	1	104.4350	0.000	1	105.0170	0.677	2	105.0170	0.677	2	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:4:	4:3:4:2:	4:3:	C[5,6]-4:C[6]-4:S[5]-2:C-4:	C[5,6]-4:N[5]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH)	S[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]S)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3){1|S<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|O<1>,1|S<1>,3|C<3>}	S[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	101.0440	0.000	1	101.0440	0.000	1	101.0440	0.000	1	101.0440	0.000	1	104.3700	2.954	33	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5]	S[5]	3:4:4:2:	4:3:1:1:	4:3:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2	S[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]N)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	S[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]N){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	102.8810	0.000	1	102.8810	0.000	1	102.8810	0.000	1	102.8810	0.000	1	103.9305	2.203	2	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5,6]	C[5]	S[5]	4:2:3:3:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	104.9800	0.000	1	104.9800	0.000	1	104.9800	0.000	1	104.9800	0.000	1	103.9305	2.203	2	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:3:	4:3:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]C)(S[5]C[5])(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO)	S[5](C[5]C[5,5]HH)(C[5]C[5,5]H)	C[5](C[5,5]C[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]C[5,5]H){1|C<3>,2|C<4>}	105.6885	0.151	2	105.6885	0.023	2	105.6885	0.023	2	105.6885	0.023	2	105.9127	0.162	3	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:4:3:	4:3:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]2)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O)	S[5](C[5]C[5,5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]2)(S[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]C[5]C){1|O<1>,2|C<4>}	106.3610	0.000	1	106.3610	0.000	1	106.3610	0.000	1	106.3610	0.000	1	105.9127	0.162	3	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	3:4:3:4:	3:4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(S[5]C[5])(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	S[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]C)(S[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	S[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,4|C<3>}	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	106.3342	2.396	4	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	3:4:4:1:	3:4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H)	S[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H){3|C<3>}	S[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	106.3342	2.396	4	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	4:4:3:3:	4:3:	C[5,6]-4:S[5]-2:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	S[5](C[5]C[5,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	S[5](C[5]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	106.3342	2.396	4	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5,6]	S[5]	4:2:3:1:	3:3:4:2:	4:3:	C[5,6]-4:S[5]-2:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5])	S[5](C[5]C[5,6]CH)(C[5]N[5]O)	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H){1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5]){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	S[5](C[5]C[5,6]CH)(C[5]N[5]O){2|C<3>}	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	106.3342	2.396	4	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	S[5](C[5]C[6a]C[5]H)(C[5]S[5]C)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{3|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]S[5]C){2|C<3>,2|H<1>}	106.2820	1.254	2	106.2820	1.574	2	106.9247	2.026	3	106.9247	2.026	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	S[5](C[5]C[6a]C[5]H)(C[5]S[5]S)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{1|S<1>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]S[5]S){2|C<3>,2|H<1>}	108.2100	0.000	1	108.2100	0.000	1	106.9247	2.026	3	106.9247	2.026	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N){2|H<1>,3|C<3>}	105.5783	1.476	3	105.5783	2.178	3	105.5783	2.178	3	104.1665	2.513	13	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	103.0300	2.010	4	103.0300	4.039	4	103.7430	2.004	10	104.1665	2.513	13	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2{1|S<1>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]S){2|C<3>,3|H<1>}	102.9880	0.000	1	102.9880	0.000	1	103.7430	2.004	10	104.1665	2.513	13	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|N<2>,2|C<3>,2|H<1>}	104.6513	0.464	3	104.5108	0.222	4	103.7430	2.004	10	104.1665	2.513	13	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|N<3>,2|C<3>,2|H<1>}	104.0890	0.000	1	104.5108	0.222	4	103.7430	2.004	10	104.1665	2.513	13	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2{1|N<2>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]N){1|S<4>,2|C<3>,2|H<1>}	104.2790	0.000	1	104.2790	0.000	1	103.7430	2.004	10	104.1665	2.513	13	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:3:4:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H)	S[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	104.5870	0.000	1	104.5870	0.000	1	104.5870	0.000	1	104.5870	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{3|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C){2|H<1>,4|C<3>}	103.9315	0.271	2	103.9315	0.073	2	104.5553	1.204	3	104.5553	1.204	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<2>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N){2|H<1>,4|C<3>}	105.8030	0.000	1	105.8030	0.000	1	104.5553	1.204	3	104.5553	1.204	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|N<2>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]N){1|H<1>,5|C<3>}	105.4340	0.000	1	105.4340	0.000	1	104.7855	0.841	2	104.7855	0.841	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){3|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C){2|H<1>,4|C<3>}	104.1370	0.000	1	104.1370	0.000	1	104.7855	0.841	2	104.7855	0.841	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	3:4:2:3:	4:3:4:1:	4:3:	C[6a]-3:C[5]-4:S[5]-2:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H)	S[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.9370	0.191	2	104.9370	0.036	2	104.9370	0.036	2	104.9370	0.036	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:3:4:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2{1|N<3>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H){1|H<1>,1|S<2>,5|C<3>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){2|H<1>,3|C<3>}	106.5370	1.089	2	106.5370	1.186	2	106.5370	1.186	2	106.5370	1.186	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:3:4:2:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|O<2>,2|C<3>}	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2{2|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2{1|C<3>,1|S<2>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH){1|C<3>,1|S<2>,2|H<1>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|H<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	105.0560	0.000	1	105.0560	0.000	1	106.9193	7.459	4	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	109.5060	0.000	1	109.5060	0.000	1	106.9193	7.459	4	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|N<2>,2|C<3>,2|H<1>}	104.1130	0.000	1	104.1130	0.000	1	106.9193	7.459	4	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{1|C<3>,2|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	109.0020	0.000	1	109.0020	0.000	1	106.9193	7.459	4	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2	S[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	S[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH){2|C<4>,3|H<1>}	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2	S[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH){2|C<3>,2|H<1>}	108.8160	0.000	1	108.8160	0.000	1	109.4530	0.517	3	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2	S[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2{1|C<3>,1|N<2>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	S[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH){2|C<3>,2|H<1>}	109.7715	0.653	2	109.7715	0.426	2	109.4530	0.517	3	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	108.6303	2.807	3	108.6303	7.879	3	107.5982	4.531	6	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|C<4>,1|N<2>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH){2|C<4>,2|H<1>}	106.0220	0.000	1	106.0220	0.000	1	107.5982	4.531	6	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	106.6650	0.000	1	106.6650	0.000	1	107.5982	4.531	6	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|N<2>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,2|O<1>}	S[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH){1|C<3>,1|S<4>,2|H<1>}	107.0110	0.000	1	107.0110	0.000	1	107.5982	4.531	6	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	S[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,3|H<1>}	108.2195	2.654	4	108.2195	7.045	4	108.0816	3.456	9	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	108.9990	0.703	2	108.8417	0.321	3	108.0816	3.456	9	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	108.5270	0.000	1	108.8417	0.321	3	108.0816	3.456	9	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|N<2>}	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>}	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	106.6655	0.218	2	106.6655	0.048	2	108.0816	3.456	9	108.0449	4.802	24	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{3|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,2|H<1>}	107.0099	1.438	8	107.0099	2.069	8	106.7090	2.625	9	106.7090	2.625	9	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{1|N<3>,2|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,2|H<1>}	104.3020	0.000	1	104.3020	0.000	1	106.7090	2.625	9	106.7090	2.625	9	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:2:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,1|N<2>,2|C<3>}	105.3620	0.000	1	105.3620	0.000	1	105.3620	0.000	1	105.3620	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:2:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	S[5](C[5]C[5]HH)(C[5]S[5]C)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	S[5](C[5]C[5]HH)(C[5]S[5]C){1|C<3>,1|H<1>}	108.0500	0.865	2	108.0500	0.749	2	108.4813	0.933	3	108.0300	1.437	4	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:2:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	S[5](C[5]C[5]HH)(C[5]S[5]S)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]S){1|C<3>,1|H<1>}	109.3440	0.000	1	109.3440	0.000	1	108.4813	0.933	3	108.0300	1.437	4	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:2:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HO)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HO)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|S<1>,2|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,1|H<1>,1|O<2>}	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	108.0300	1.437	4	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:2:2:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|C<3>,1|O<2>}	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H)	S[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	S[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|H<1>,4|C<3>}	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	105.8220	1.111	9	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|Ni<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,3|C<3>}	105.8150	0.164	2	105.8150	0.027	2	105.8150	0.027	2	105.8220	1.111	9	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	S[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	S[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	105.5487	1.066	6	105.5487	1.136	6	105.5487	1.136	6	105.8220	1.111	9	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H)	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|H<1>,2|C<3>}	104.3860	0.000	1	104.3860	0.000	1	105.7720	3.842	2	105.7720	3.842	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H){1|N<2>,2|C<3>,2|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,2|H<1>}	107.1580	0.000	1	107.1580	0.000	1	105.7720	3.842	2	105.7720	3.842	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:4:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H){1|C<4>,1|N<2>,1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,1|C<4>,1|H<1>}	106.1700	0.000	1	106.1700	0.000	1	106.1700	0.000	1	106.1700	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:4:2:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CO)(S[5]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CO)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH){1|N<3>,2|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<2>}	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	107.5030	0.000	1	107.5030	0.000	1	106.3775	2.534	2	110.0823	9.401	26	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	S[5](C[5]N[4]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|N<3>}	S[5](C[5]N[4]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>}	105.2520	0.000	1	105.2520	0.000	1	106.3775	2.534	2	110.0823	9.401	26	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[5]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	113.1760	3.232	4	112.4176	13.813	8	110.3911	8.816	24	110.0823	9.401	26	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[5]S[5])(C[5]C[5]HH){2|H<1>,2|S<2>}	111.6593	4.500	4	112.4176	13.813	8	110.3911	8.816	24	110.0823	9.401	26	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5a]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]HH){2|H<1>,2|S<2>}	112.8415	2.853	2	112.8415	8.141	2	110.3911	8.816	24	110.0823	9.401	26	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	108.1110	0.724	2	108.8830	1.633	14	110.3911	8.816	24	110.0823	9.401	26	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	109.0117	1.325	12	108.8830	1.633	14	110.3911	8.816	24	110.0823	9.401	26	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<4>}	S[5](C[5]C[5]HH)(C[5]N[5]C){2|H<1>}	107.0980	0.000	1	107.0980	0.000	1	106.2864	0.785	17	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){2|H<1>}	106.6562	1.032	4	106.6562	1.064	4	106.2864	0.785	17	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){2|H<1>}	106.0490	0.000	1	106.0954	0.703	12	106.2864	0.785	17	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]S){2|H<1>}	106.0996	0.879	11	106.0954	0.703	12	106.2864	0.785	17	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]S[5]C)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[5]HH)(C[5]S[5]C){2|H<1>}	109.4037	2.488	24	109.4037	6.190	24	109.0735	4.875	60	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]S[5]N)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<2>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<2>}	S[5](C[5]C[5]HH)(C[5]S[5]N){2|H<1>}	108.1443	0.550	18	108.8854	4.251	34	109.0735	4.875	60	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]S[5]N)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<3>}	S[5](C[5]C[5]HH)(C[5]S[5]N){2|H<1>}	109.7192	2.758	16	108.8854	4.251	34	109.0735	4.875	60	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]S[5]O)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>}	S[5](C[5]C[5]HH)(C[5]S[5]O){2|H<1>}	108.3065	0.016	2	108.3065	0.000	2	109.0735	4.875	60	108.4581	5.304	77	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:3:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H)	S[5](C[5]C[5a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H){1|C<3>}	S[5](C[5]C[5a]N[5])(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H)	S[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	S[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<10>,1|H<1>,3|C<4>}	105.2835	0.814	2	105.2835	0.662	2	105.2835	0.662	2	105.2835	0.662	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H)	S[5](C[5]C[5]HH)(C[5]S[5]C)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H){1|C<3>}	S[5](C[5]C[5]HH)(C[5]S[5]C){1|C<4>,1|H<1>}	108.4220	0.000	1	108.4220	0.000	1	108.8590	0.382	2	108.8590	0.382	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H)	S[5](C[5]C[5]HH)(C[5]S[5]S)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|S<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H){1|S<1>}	S[5](C[5]C[5]HH)(C[5]S[5]S){1|C<4>,1|H<1>}	109.2960	0.000	1	109.2960	0.000	1	108.8590	0.382	2	108.8590	0.382	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:4:3:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO){1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,3|C<3>}	104.8970	0.000	1	104.8970	0.000	1	105.6943	3.536	3	105.6943	3.536	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:4:3:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,3|C<3>}	106.0930	2.473	2	106.0930	6.118	2	105.6943	3.536	3	105.6943	3.536	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:4:4:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2{1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){2|C<4>}	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2	S[5](C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Fe<6>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	S[5](C[5]C[5]N[5])(C[5]C[5]HH){1|Fe<6>,1|N<3>,1|S<2>,2|H<1>}	106.4441	1.047	18	106.4441	1.096	18	106.2830	1.520	27	106.2830	1.520	27	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ir<6>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,2|C<3>,2|H<1>}	106.4970	0.000	1	106.4970	0.000	1	106.2830	1.520	27	106.2830	1.520	27	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Re<6>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2{1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|H<1>}	105.8939	1.654	8	105.8939	2.737	8	106.2830	1.520	27	106.2830	1.520	27	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<2>,1|N<3>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2{1|N<3>}	S[5](C[5]C[5]HH)(C[5]C[5]N){1|C<2>,2|H<1>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|O<1>,1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.0080	0.000	1	109.0080	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|S<1>,1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,2|H<1>}	105.1150	0.000	1	105.1150	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|B<4>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2{1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|B<4>,2|H<1>}	104.3785	0.559	2	104.3785	0.313	2	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|C<4>,2|H<1>}	106.2775	3.922	2	106.2775	15.385	2	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,2|H<1>}	104.9688	0.748	4	106.9219	2.984	14	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>}	107.8412	1.324	9	106.9219	2.984	14	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>}	106.4610	0.000	1	106.9219	2.984	14	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|H<1>}	106.7277	1.617	12	106.8885	2.732	13	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>}	108.8190	0.000	1	106.8885	2.732	13	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,2|H<1>}	105.2864	2.287	13	106.5026	5.954	22	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|H<1>}	108.5970	1.518	5	106.5026	5.954	22	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|H<1>}	107.8375	1.259	4	106.5026	5.954	22	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]2)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]2){1|C<3>,1|C<4>,3|H<1>}	107.8255	2.254	2	107.8255	5.078	2	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){3|H<1>}	107.4450	1.112	2	107.4450	1.236	2	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){3|H<1>}	105.2010	0.000	1	106.4512	2.825	5	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){3|H<1>}	106.7638	1.765	4	106.4512	2.825	5	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){3|H<1>}	107.2640	0.000	1	108.0623	0.649	4	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]S){3|H<1>}	108.3283	0.741	3	108.0623	0.649	4	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ni<4>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|Ni<4>,2|H<1>}	107.8610	0.000	1	107.8610	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|P<3>}	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|P<3>,2|H<1>}	110.4720	0.000	1	110.4720	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|P<3>}	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|P<3>,2|H<1>}	108.0050	0.000	1	108.0050	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|P<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|P<3>,2|H<1>}	107.2340	0.000	1	107.2340	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pd<4>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|Pd<4>,2|H<1>}	104.9300	0.000	1	104.9300	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pt<6>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2{1|S<2>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|Pt<6>,2|H<1>}	105.6560	0.802	2	105.6560	0.643	2	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|S<4>}	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|S<4>,2|H<1>}	106.9517	0.419	3	106.9517	0.176	3	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>,1|S<4>}	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|S<4>,2|H<1>}	106.1920	0.000	1	106.1920	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Zn<4>,1|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>}	S[5](C[5]C[5]HH)(C[5]N[5]C){1|Zn<4>,2|H<1>}	108.1160	0.000	1	108.1160	0.000	1	106.8122	3.665	80	106.8401	3.682	81	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H){1|O<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	104.8410	0.000	1	104.8410	0.000	1	105.5873	0.671	3	105.5873	0.671	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|N<3>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<3>,2|H<1>}	106.4640	0.000	1	106.4640	0.000	1	105.5873	0.671	3	105.5873	0.671	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,2|H<1>}	105.4570	0.000	1	105.4570	0.000	1	105.5873	0.671	3	105.5873	0.671	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	S[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	S[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	106.7430	0.270	4	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H)	S[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Co<5>,1|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.8803	0.540	3	106.8803	0.292	3	106.8803	0.292	3	106.7430	0.270	4	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	106.9720	0.000	1	106.9720	0.000	1	105.5561	1.446	15	105.5561	1.446	15	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,1|C<4>,1|H<1>}	104.7468	1.223	6	104.7468	1.495	6	105.5561	1.446	15	105.5561	1.446	15	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<3>,1|C<4>,1|H<1>}	104.9815	0.029	2	104.9815	0.001	2	105.5561	1.446	15	105.5561	1.446	15	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H)	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	105.3950	0.000	1	105.3950	0.000	1	105.5561	1.446	15	105.5561	1.446	15	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|H<1>,2|C<4>}	105.9350	0.052	2	105.9350	0.003	2	105.5561	1.446	15	105.5561	1.446	15	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	S[5](C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|N<2>}	S[5](C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>}	107.3810	0.000	1	107.3810	0.000	1	105.5561	1.446	15	105.5561	1.446	15	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	S[5](C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|S<1>}	S[5](C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|H<1>}	106.6400	0.430	2	106.6400	0.185	2	105.5561	1.446	15	105.5561	1.446	15	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:4:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3){1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	106.8240	1.493	2	106.8240	2.230	2	106.8240	2.230	2	106.8240	2.230	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>}	S[5](C[5]C[5]HH)(C[5]C[5]C){4|H<1>}	105.2610	0.000	1	107.6605	11.515	2	106.6476	3.944	5	106.6476	3.944	5	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>}	S[5](C[5]C[5]HH)(C[5]C[5]C){4|H<1>}	110.0600	0.000	1	107.6605	11.515	2	106.6476	3.944	5	106.6476	3.944	5	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2{1|O<1>}	S[5](C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|H<1>}	105.7495	0.736	2	105.7495	0.542	2	106.6476	3.944	5	106.6476	3.944	5	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	S[5](C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|H<1>}	106.4180	0.000	1	106.4180	0.000	1	106.6476	3.944	5	106.6476	3.944	5	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]N[5,6]S[5]H)(C[5]S[5]HH)(N[5]C[5])(H){2|C<3>,2|C<4>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	106.1250	0.973	2	106.1250	0.947	2	106.1250	0.947	2	106.1250	0.947	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H){1|O<1>}	S[5](C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	105.8560	0.843	2	105.8560	0.710	2	105.8560	0.710	2	105.8560	0.710	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:3:	3:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:C-3:	C[5]-3:C[5]-4:	C[5](C[5]C[5]N[5]C)(S[5]C[5])(H)2	C[5](C[5]C[5]N[5]C)(C[5]S[5]HH)(N[5]C[5])(COO)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5]C)(C[5]S[5]HH)(N[5]C[5])(COO){1|S<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,3|C<3>}	106.5483	0.490	3	106.5483	0.240	3	106.5483	0.240	3	106.5483	0.240	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	S[5](C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2{1|O<1>,2|C<4>,2|O<2>}	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]O){1|H<1>,2|C<4>}	107.0830	0.000	2	107.0830	0.000	2	107.0830	0.000	2	107.0830	0.000	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:2:1:	4:4:2:4:	4:3:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H)	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3)	S[5](C[5]C[5]HO)(C[5]N[5]C)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3){2|C<4>,3|C<3>}	S[5](C[5]C[5]HO)(C[5]N[5]C){2|C<4>}	102.3160	0.000	1	102.3160	0.000	1	102.3160	0.000	1	102.3160	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:1:	3:3:4:1:	3:4:	C[5]-4:S[5]-2:N-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	S[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H){1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	S[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN){1|C<4>,1|H<1>,3|C<3>}	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:1:	3:3:4:1:	4:3:	C[5]-4:S[5]-2:C-3:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	S[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H){4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	S[5](C[5]C[5]CH)(C[5]N[5]C){1|H<1>,2|C<3>}	105.6450	0.000	1	105.6450	0.000	1	105.6450	0.000	1	105.6450	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:1:	3:4:1:1:	3:4:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2{1|H<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:1:	3:4:3:1:	4:3:	C[5]-4:S[5]-2:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H)	S[5](C[5]C[5]CH)(C[5]C[5]N)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	S[5](C[5]C[5]CH)(C[5]C[5]N){1|C<2>,1|C<3>,1|H<1>}	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	107.0348	0.144	9	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:1:	3:4:3:1:	4:3:	C[5]-4:S[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	S[5](C[5]C[5]CH)(C[5]C[5]N)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]N){1|C<2>,1|C<3>,1|H<1>}	107.1001	0.347	8	107.1001	0.120	8	107.1001	0.120	8	107.0348	0.144	9	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:1:	3:4:3:2:	3:4:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH){1|H<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:1:	4:2:4:2:	3:4:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H)	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH)	S[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H){1|C<3>}	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>}	105.5350	0.000	1	105.5350	0.000	1	105.5350	0.000	1	105.5350	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:3:3:	3:4:2:1:	3:4:	C[5]-4:S[5]-2:C-3:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H)	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2{1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>}	107.2225	0.288	2	107.2225	0.083	2	107.2225	0.083	2	107.2225	0.083	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H)	C[5](C[5]S[5]CH)(N[5]C[5])(H)2	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H){1|S<2>}	C[5](C[5]S[5]CH)(N[5]C[5])(H)2{1|S<2>}	S[5](C[5]C[5]CH)(C[5]N[5]S){2|H<1>}	103.5360	0.000	1	103.5360	0.000	1	103.5360	0.000	1	105.8590	5.527	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	S[5](C[5]C[5]CH)(C[5]S[5]C)	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H){1|C<3>}	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[5]CH)(C[5]S[5]C){2|H<1>}	105.8040	0.000	1	105.8040	0.000	1	107.0205	2.960	2	105.8590	5.527	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	S[5](C[5]C[5]CH)(C[5]S[5]S)	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H){1|S<1>}	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|S<1>}	S[5](C[5]C[5]CH)(C[5]S[5]S){2|H<1>}	108.2370	0.000	1	108.2370	0.000	1	107.0205	2.960	2	105.8590	5.527	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]HH)(S[5]C[5])(CC3)(H){1|H<1>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2{1|S<1>}	S[5](C[5]C[5]CH)(C[5]N[5]S){3|H<1>}	103.5170	0.000	1	103.5170	0.000	1	104.1345	0.763	2	104.1345	0.763	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H)	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2	S[5](C[5]C[5]CH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H){1|N<2>,1|S<4>}	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2{1|N<2>}	S[5](C[5]C[5]CH)(C[5]N[5]N){1|S<4>,2|H<1>}	104.7520	0.000	1	104.7520	0.000	1	104.1345	0.763	2	104.1345	0.763	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H)	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H){1|H<1>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H){1|S<1>}	S[5](C[5]C[5]CH)(C[5]N[5]S){1|C<4>,2|H<1>}	104.9270	0.000	1	104.9270	0.000	1	103.8953	1.052	3	103.8953	1.052	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H)	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|C<4>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H){1|S<1>}	S[5](C[5]C[5]CH)(C[5]N[5]S){1|H<1>,2|C<4>}	103.8830	0.000	1	103.8830	0.000	1	103.8953	1.052	3	103.8953	1.052	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:3:4:1:	4:3:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H)	S[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|H<1>,1|S<1>}	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H){1|S<1>}	S[5](C[5]C[5]CH)(C[5]N[5]S){1|C<4>,2|H<1>}	102.8760	0.000	1	102.8760	0.000	1	103.8953	1.052	3	103.8953	1.052	3	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:3:	3:4:3:1:	4:3:	C[5]-4:S[5]-2:C-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO)	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H)	S[5](C[5]C[5]CC)(C[5]C[5]S)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO){1|S<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	S[5](C[5]C[5]CC)(C[5]C[5]S){1|H<1>,2|C<3>}	104.8540	0.000	1	104.8540	0.000	1	104.8540	0.000	1	104.8540	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:4:	4:2:1:1:	3:4:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5])(H)2	S[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|C<3>}	C[5](C[5]S[5]CC)(N[5]C[5])(H)2{1|C<3>}	S[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|N<2>,1|S<2>,2|H<1>}	102.4380	0.000	1	102.4380	0.000	1	102.4380	0.000	1	102.4380	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:2:4:4:	4:2:2:1:	4:3:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H)	S[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2{1|N<2>}	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H){1|N<2>}	S[5](C[5]C[5]CC)(C[5]N[5]N){1|H<1>,1|O<2>}	103.5530	0.000	1	103.5530	0.000	1	103.5530	0.000	1	103.5530	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:1:	3:4:1:1:	3:4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	105.4820	0.907	2	105.4820	0.822	2	105.4820	0.822	2	105.4820	0.822	2	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:1:	3:4:4:1:	3:4:	C[5]-4:C[6a]-3:S[5]-2:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	S[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5]H){1|C<4>,1|H<1>,4|C<3>}	105.3150	0.000	1	105.3150	0.000	1	105.3150	0.000	1	105.3150	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP2_SP3	C[5]	C[5]	S[5]	4:3:2:1:	4:4:2:2:	4:3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[5,5]-4:C-2:C-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5,5]C[5]3)(CN)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5,5]N)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5,5]C[5]3)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|N<2>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5,5]N){2|C<2>,4|C<3>}	104.9910	0.000	1	104.9910	0.000	1	104.9910	0.000	1	104.9910	0.000	1	107.1074	5.539	370	106.8422	5.875	429
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	S[5,5]	4:3:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	102.2950	0.040	2	101.7488	1.010	5	101.7488	1.010	5	101.7488	1.010	5	101.8447	0.863	6	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	S[5,5]	4:3:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	101.3847	1.234	3	101.7488	1.010	5	101.7488	1.010	5	101.7488	1.010	5	101.8447	0.863	6	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	S[5,5]	4:3:2:3:	4:4:3:1:	4:4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:N[5]-3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5])	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	102.3240	0.000	1	102.3240	0.000	1	102.3240	0.000	1	102.3240	0.000	1	101.8447	0.863	6	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5,5]	3:4:2:2:	4:4:2:1:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,6]-4:C-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|C<3>,1|O<1>,6|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]HH)(CN)(H){2|C<3>,2|C<4>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	102.3435	0.902	2	102.3435	0.813	2	102.3435	0.813	2	102.3435	0.813	2	103.6739	6.634	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5,5]	3:4:2:2:	4:4:3:1:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]CH)(COO)(H){2|C<3>,2|C<4>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	103.2460	0.000	1	103.2460	0.000	1	103.2460	0.000	1	101.3752	7.000	2	103.6739	6.634	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5,5]	3:4:2:2:	4:4:3:1:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,6]-4:N-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){2|C<4>,4|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	99.5044	0.000	1	99.5044	0.000	1	99.5044	0.000	1	101.3752	7.000	2	103.6739	6.634	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5,5]	4:3:2:2:	4:2:3:3:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	106.2590	0.000	1	106.0933	0.162	3	106.0933	0.162	3	106.0933	0.162	3	103.6739	6.634	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5,5]	4:3:2:2:	4:2:3:3:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	106.3860	0.000	1	106.0933	0.162	3	106.0933	0.162	3	106.0933	0.162	3	103.6739	6.634	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[3x5,6]	C[5,6]	S[5,5]	4:3:2:2:	4:2:3:3:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	105.6350	0.000	1	106.0933	0.162	3	106.0933	0.162	3	106.0933	0.162	3	103.6739	6.634	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6,6]	C[5,5]	S[5,6,6]	4:2:2:3:	4:4:1:1:	4:4:	C[5,5]-4:S[5,6,6]-2:S[5,6,6]-2:C[6a]-3:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:P[4,5,6,6]-4:	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2)	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S)	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2){1|S<2>,2|H<1>,2|S<1>,3|C<3>}	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2{1|S<2>,2|S<1>,4|C<3>}	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S){1|P<4>,2|H<1>,3|C<3>}	105.9775	0.306	2	105.9775	0.094	2	105.9775	0.094	2	105.9775	0.094	2	105.9775	0.094	2	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6,6]	C[5,5]	S[5,6]	3:4:2:3:	4:4:1:1:	4:4:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	102.1565	0.292	2	102.1565	0.085	2	102.1565	0.085	2	102.1565	0.085	2	102.1565	0.085	2	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	S[5]	4:2:4:1:	6:4:4:3:	5:4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	B[4x3,4,6x5,21x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[3x3,4,4x5,14x6]-5:C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H)	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	S[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5]C[5,6])(S[5]C[3x3,4,4x5,14x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<5>,4|H<1>,5|B<6>}	C[3x5,6](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,1|S<2>,5|B<6>,6|H<1>}	S[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(C[5,5,6]C[3x5,6]C[5,6]H){1|C<5>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	107.9590	1.052	3	107.9590	1.107	3	107.9590	1.107	3	107.9590	1.107	3	108.5688	1.489	5	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	S[5]	4:2:4:1:	6:4:4:3:	6:4:	C[3x5,6]-4:S[5]-2:C[5,6]-4:H-1:	B[5x3,6x5,20x6]-6:C[5,5,6]-4:C[5,5]-4:C[5,6]-3:	C[5x3,6x5,20x6]-6:C[5,5,6]-4:	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H)	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6](C[3x5,6]B[5x3,6x5,20x6]C[5,5]C[5,6])(S[5]C[5x3,6x5,20x6])(C[5,6]C[5,5,6]CH)(H){1|C<3>,1|C<6>,4|H<1>,5|B<6>}	C[3x5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,5,6]C[5,6]S[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H){1|C<3>,5|B<6>,7|H<1>}	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,5,6]C[3x5,6]C[5,6]H){2|C<3>,2|C<4>,5|B<6>,5|H<1>}	109.4835	0.977	2	109.4835	0.954	2	109.4835	0.954	2	109.4835	0.954	2	108.5688	1.489	5	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5,5]	4:3:2:3:	4:3:4:3:	4:4:	C[5,5,6]-4:C[6a]-3:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	101.8870	0.000	1	101.8870	0.000	1	101.8870	0.000	1	101.8870	0.000	1	102.2404	0.742	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5,5]	4:3:2:3:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){2|N<3>,2|O<1>,3|C<3>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]N[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	101.5740	0.000	1	101.5740	0.000	1	102.2993	0.862	6	102.2993	0.862	6	102.2404	0.742	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5,5]	4:3:2:3:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	102.4444	0.959	5	102.4444	0.919	5	102.2993	0.862	6	102.2993	0.862	6	102.2404	0.742	7	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H)	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]S[5]H)(S[5]C[5])(H){1|C<3>,1|C<4>,4|H<1>}	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH){1|O<2>,2|C<4>,2|H<1>}	111.6290	0.396	2	111.6290	0.157	2	111.6290	0.157	2	111.6290	0.157	2	112.2125	3.759	4	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5]	4:4:2:1:	4:4:3:2:	4:3:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:S[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	S[5](C[5,5,6]C[5,5,6]2H)(S[5]S[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	S[5](C[5,5,6]C[5,5,6]2H)(S[5]S[5]O){1|C<3>,1|H<1>,3|C<4>}	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	112.2125	3.759	4	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5]	4:4:3:2:	4:4:2:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:S[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H)	S[5](C[5,5,6]C[5,5,6]2C[6a])(S[5]S[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	S[5](C[5,5,6]C[5,5,6]2C[6a])(S[5]S[5]O){2|C<3>,2|H<1>,3|C<4>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	112.2125	3.759	4	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,5]	S[5,6]	4:2:3:1:	4:4:1:1:	4:4:	C[5,5]-4:S[5,6]-2:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6]HH)(S[5,6]C[5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6,6]	S[5,5]	3:4:2:1:	4:4:4:1:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:S[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	S[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	S[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{2|C<3>,2|C<4>,2|H<1>}	100.6355	0.507	2	100.6355	0.257	2	100.6355	0.257	2	100.6355	0.257	2	100.6355	0.257	2	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:4:2:3:	4:4:1:1:	4:4:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	103.0335	0.149	2	103.0335	0.022	2	103.0335	0.022	2	103.0335	0.022	2	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:4:2:3:	4:4:3:1:	4:4:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	104.1540	0.000	1	104.1540	0.000	1	104.1540	0.000	1	99.5220	4.434	8	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:4:2:3:	4:4:3:1:	4:4:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	99.7110	1.098	3	99.7110	1.205	3	99.7110	1.205	3	99.5220	4.434	8	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:4:2:3:	4:4:3:1:	4:4:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	98.2221	0.320	4	98.2221	0.102	4	98.2221	0.102	4	99.5220	4.434	8	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	3:4:2:4:	4:4:1:1:	4:4:	N[5,6]-3:C[5,6]-4:S[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3)	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a]){1|O<1>,3|H<1>,4|C<3>}	102.2300	0.000	1	102.2300	0.000	1	102.2300	0.000	1	102.2300	0.000	1	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:3:	4:4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H)	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a]){1|O<1>,3|H<1>,4|C<3>}	104.0890	0.000	1	104.0890	0.000	1	104.0890	0.000	1	104.0890	0.000	1	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:4:	4:4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H)	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H){2|N<3>,2|O<1>,3|C<3>}	S[5,5](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	104.1130	0.000	1	104.1130	0.000	1	104.1130	0.000	1	103.5805	0.189	8	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:4:	4:4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(CCO)(H){1|C<3>,1|N<3>,1|O<1>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	103.2927	0.417	3	103.2927	0.174	3	103.2927	0.174	3	103.5805	0.189	8	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:2:3:4:	4:4:3:1:	4:4:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	S[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	103.6633	0.372	4	103.6633	0.138	4	103.6633	0.138	4	103.5805	0.189	8	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,5]	4:3:2:3:	4:4:3:1:	4:4:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	104.0030	0.000	1	104.0030	0.000	1	104.0030	0.000	1	104.0030	0.000	1	101.9623	5.601	21	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5]	C[5,5]	S[5]	3:3:4:2:	3:3:4:2:	4:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:S[5]-2:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5])	S[5](C[5,5]C[5,6a]2C[5,5])(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5]){4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5]){4|H<1>,8|C<3>}	S[5](C[5,5]C[5,6a]2C[5,5])(C[5]S[5]HH){6|C<3>}	106.2025	0.903	2	106.2025	0.815	2	106.2025	0.815	2	106.2025	0.815	2	109.2654	6.785	8	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5]	C[5,5]	S[5]	4:2:3:1:	6:4:4:2:	6:4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C[5]-4:S[5]-2:	C[5x3,6x5,20x6]-6:C[5,5]-4:	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H)	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5])	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H){1|Fe<10>,3|C<4>,6|B<6>}	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5]){3|C<4>,5|B<6>,7|H<1>}	S[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]H){1|C<3>,1|C<4>,1|S<2>,5|B<6>,5|H<1>}	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	109.2654	6.785	8	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	4:3:4:3:	4:4:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	109.2547	1.108	3	109.2547	1.228	3	109.2547	1.228	3	109.2547	1.228	3	109.2654	6.785	8	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H)	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.2654	6.785	8	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5]	C[5,5]	S[5]	4:3:2:1:	4:4:4:1:	4:3:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:P[5]-4:C[5]-4:H-1:	C[5,5]-4:P[5]-3:	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H)	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H)	S[5](C[5,5]C[5,5]C[5]H)(P[5]C[6a]P[5])	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]H)(S[5]P[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(P[5]C[6a]P[5]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]H)(P[5]C[6a]P[5]){1|C<4>,1|S<1>,2|H<1>,4|C<3>}	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	109.2654	6.785	8	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,5]	C[5]	S[5]	3:3:4:2:	4:3:3:1:	4:4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:S[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5])	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	S[5](C[5,5]C[5,6a]2C[5])(C[5]N[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5]){2|H<1>,9|C<3>}	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	S[5](C[5,5]C[5,6a]2C[5])(C[5]N[5]CC){1|H<1>,6|C<3>}	102.2360	0.000	1	102.2360	0.000	1	102.2360	0.000	1	102.2360	0.000	1	102.2360	0.000	1	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	S[5,6]	4:2:3:1:	4:4:4:2:	4:4:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	104.8590	0.000	1	104.8590	0.000	1	104.8590	0.000	1	104.8590	0.000	1	104.8590	0.000	1	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,5,6]	S[5,6]	4:2:4:4:	3:3:4:1:	4:4:	C[5,5,6]-4:S[5,6]-2:C-4:C-4:	N[5,5,6]-3:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(S[5,6]C[5,5,6])(CH3)2	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H)	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(S[5,6]C[5,5,6])(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	102.3880	0.000	1	102.3880	0.000	1	102.3880	0.000	1	102.3880	0.000	1	102.3880	0.000	1	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	106.1880	0.000	1	106.1880	0.000	1	106.3525	0.054	2	106.3525	0.054	2	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	106.5170	0.000	1	106.5170	0.000	1	106.3525	0.054	2	106.3525	0.054	2	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	S[5](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S[5](C[5,6]C[5,6]C[6]H)2{4|O<2>,6|H<1>}	105.2545	0.084	2	105.2545	0.007	2	105.2545	0.007	2	105.2545	0.007	2	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:2:4:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	S[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]S)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	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>}	S[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]S){2|C<3>,2|H<1>,3|C<4>}	107.3340	0.000	1	107.3340	0.000	1	107.2490	0.014	2	107.2490	0.014	2	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:2:4:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	S[5](C[5,6]C[5,6]C[6]H)(P[5]O[5]SS)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<3>,1|C<4>,1|S<1>,1|S<2>,3|H<1>}	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>}	S[5](C[5,6]C[5,6]C[6]H)(P[5]O[5]SS){2|H<1>,3|C<4>}	107.1640	0.000	1	107.1640	0.000	1	107.2490	0.014	2	107.2490	0.014	2	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:3:1:	4:2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:S[5]-2:	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H)	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H)	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6])	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H){1|C<4>,4|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(S[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	105.0768	0.598	4	105.0768	0.357	4	105.0768	0.357	4	105.0768	0.357	4	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	S[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)(S[5]C[5])(H){1|C<3>,1|O<2>,7|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	104.1570	0.000	1	104.1570	0.000	1	103.7323	0.171	3	103.7323	0.171	3	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5,6]	S[5]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	S[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)(S[5]C[5])(H){1|C<3>,1|S<2>,7|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	103.5200	0.269	2	103.5200	0.072	2	103.7323	0.171	3	103.7323	0.171	3	105.3243	1.573	13	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5]	S[5]	4:4:4:2:	4:2:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5])	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2	S[5](C[5,6]C[5]C[6]2)(P[5]O[5]OS)	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5]){1|C<4>,1|O<2>,1|S<1>,4|H<1>}	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2{1|O<2>,1|S<1>,2|C<4>,4|H<1>}	S[5](C[5,6]C[5]C[6]2)(P[5]O[5]OS){2|C<4>,6|H<1>}	103.0190	0.000	1	103.0190	0.000	1	103.0190	0.000	1	103.0190	0.000	1	104.6795	5.515	2	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5,6]	C[5]	S[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:S[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[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH)	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH){1|N<4>,3|C<4>,6|H<1>}	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	104.6795	5.515	2	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[3x5,6]	S[5]	4:2:1:1:	4:2:3:4:	4:4:	C[3x5,6]-4:S[5]-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	107.4400	0.000	1	107.4400	0.000	1	107.6065	0.055	2	107.6065	0.055	2	107.3163	0.280	3	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[3x5,6]	S[5]	4:2:1:1:	4:2:3:4:	4:4:	C[3x5,6]-4:S[5]-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	107.7730	0.000	1	107.7730	0.000	1	107.6065	0.055	2	107.6065	0.055	2	107.3163	0.280	3	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[3x5,6]	S[5]	4:2:4:1:	4:2:3:4:	4:4:	C[3x5,6]-4:S[5]-2:C-4:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH)	S[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH){6|H<1>}	S[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	107.3163	0.280	3	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,3x6]	S[5]	4:2:1:1:	3:3:3:4:	4:4:	C[5,3x6]-4:S[5]-2:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	S[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2{2|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	S[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH){3|C<3>}	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5,6]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br)	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Br){1|C<3>,4|H<1>}	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	107.3393	0.165	3	107.3393	0.165	3	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5,6]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:Cl-1:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl)	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(Cl){1|C<3>,4|H<1>}	S[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.3393	0.165	3	107.3393	0.165	3	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5,6]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H)	S[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	S[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.9010	0.000	1	106.9010	0.000	1	106.9010	0.000	1	107.3393	0.165	3	107.3393	0.165	3	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:3:4:3:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:2:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2{2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|C<4>,1|H<1>,1|O<2>}	106.2230	1.547	2	106.2230	2.394	2	106.2230	2.394	2	106.2230	2.394	2	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	107.8090	0.000	1	107.8090	0.000	1	106.1737	3.719	3	106.1737	3.719	3	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H)	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	104.0470	0.000	1	104.0470	0.000	1	106.1737	3.719	3	106.1737	3.719	3	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H){1|H<1>,1|S<1>,2|C<4>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|H<1>,2|C<3>}	106.6650	0.000	1	106.6650	0.000	1	106.1737	3.719	3	106.1737	3.719	3	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>}	106.2930	0.000	1	106.2930	0.000	1	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	106.8090	0.000	1	106.8090	0.000	1	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>}	106.7487	1.117	6	106.7487	1.247	6	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	105.9010	0.000	1	105.9010	0.000	1	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	107.7190	0.000	1	107.7190	0.000	1	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	106.1385	0.071	2	106.0485	0.892	6	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	106.9185	0.504	2	106.0485	0.892	6	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	105.0885	0.910	2	106.0485	0.892	6	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	105.3630	0.000	1	105.3630	0.000	1	106.4040	0.963	17	106.4040	0.963	17	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	3:4:4:3:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO){1|C<4>,1|O<1>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	105.9973	0.670	3	105.9973	0.449	3	105.9973	0.449	3	105.9973	0.449	3	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	103.8240	0.150	3	103.8240	0.022	3	103.8240	0.022	3	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	106.2730	0.608	2	106.2730	0.370	2	105.6854	1.227	7	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	105.1880	0.000	1	104.6447	0.377	3	105.6854	1.227	7	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	104.3730	0.559	2	104.6447	0.377	3	105.6854	1.227	7	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	106.6590	0.632	2	106.6590	0.400	2	105.6854	1.227	7	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	105.8300	0.000	1	105.8300	0.000	1	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	107.2640	0.000	1	107.2640	0.000	1	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	105.0738	1.603	8	105.2076	2.410	9	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	106.2780	0.000	1	105.2076	2.410	9	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	103.5420	0.000	1	103.5420	0.000	1	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	104.6662	0.553	11	104.6662	0.305	11	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	S[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>}	106.2720	0.000	1	106.2720	0.000	1	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	S[5](C[5]C[5,5]HH)(C[5]N[5,5]HH){1|H<1>,2|C<4>}	106.4940	0.000	1	106.4940	0.000	1	105.1039	1.478	25	105.1105	1.475	35	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:2:4:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3)	S[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5])(H)2{1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3){1|S<1>,2|H<1>}	S[5](C[5]C[5,5]HH)2{2|C<4>,2|O<2>}	110.3083	1.389	4	110.3083	1.928	4	110.3083	1.928	4	110.3083	1.928	4	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|N<3>}	106.3930	2.656	6	106.4079	5.879	7	106.4049	5.039	8	105.8775	5.164	10	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|N<3>}	106.4970	0.000	1	106.4079	5.879	7	106.4049	5.039	8	105.8775	5.164	10	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|N<3>}	106.3840	0.000	1	106.3840	0.000	1	106.4049	5.039	8	105.8775	5.164	10	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H)	S[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH)	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>}	S[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH){1|B<4>,2|H<1>,3|C<3>}	103.7680	0.272	2	103.7680	0.074	2	103.7680	0.074	2	105.8775	5.164	10	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:3:3:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(S[5]C[5])(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C)	S[5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]N[5])(S[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH){1|C<4>,4|C<3>}	103.9300	0.000	1	103.9300	0.000	1	103.9300	0.000	1	106.1245	9.632	2	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:3:3:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO)	S[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]N[5]C)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO){1|C<3>,5|H<1>}	S[5](C[5]C[5,5]HH)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	106.1245	9.632	2	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H)	S[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]HH)(C[5]S[5]HH)(H){1|C<3>,4|H<1>}	S[5](C[5]C[5,5]HH)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:1:1:	4:4:4:3:	4:4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[3,5]C[5]2)(S[5]C[5])(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O)	S[5](C[5]C[5,5]HH)(C[5]C[5]HH)	C[5](C[5,5]C[3,5]C[5]2)(S[5]C[5])(H)2{1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	S[5](C[5]C[5,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	105.7500	0.000	1	105.7500	0.000	1	105.7500	0.000	1	105.7500	0.000	1	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:3:1:	3:4:4:2:	4:4:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	S[5](C[5]C[5,5]CH)2	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	S[5](C[5]C[5,5]CH)2{2|C<3>,2|O<2>}	106.6130	1.066	2	106.6130	1.137	2	106.6130	1.137	2	106.6130	1.137	2	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:3:1:	3:4:4:3:	4:4:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	S[5](C[5]C[5,5]CH)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	S[5](C[5]C[5,5]CH)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>}	106.5450	0.000	1	106.5450	0.000	1	106.5450	0.000	1	106.5450	0.000	1	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|N<3>}	104.2346	2.224	6	104.2346	4.948	6	104.4395	3.680	8	104.4395	3.680	8	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|N<3>}	105.1330	0.000	1	105.0545	0.012	2	104.4395	3.680	8	104.4395	3.680	8	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5,5]-4:S[5]-2:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]H)(H){1|O<1>,3|H<1>}	S[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|N<3>}	104.9760	0.000	1	105.0545	0.012	2	104.4395	3.680	8	104.4395	3.680	8	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,5]	S[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5,5]-4:S[5]-2:C-4:C-4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(S[5]C[4,5])(CH3)2	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H)	S[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5]C[5,5]CC)	C[5](C[5,5]C[4,5,5]C[5]H)(S[5]C[4,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H){2|C<3>,3|H<1>}	S[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5]C[5,5]CC){2|C<4>,2|H<1>,3|C<3>}	104.6250	0.000	1	104.6250	0.000	1	104.6250	0.000	1	104.6250	0.000	1	105.7813	3.248	91	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6,6]	S[5]	4:2:1:1:	3:4:4:4:	4:4:	C[5,6,6]-4:S[5]-2:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	S[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	S[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>}	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	2:4:4:1:	3:4:	C[5,6]-4:S[5]-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	As[5,6]-3:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	S[5](As[5,6]O[5,6]S[6])(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	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>}	S[5](As[5,6]O[5,6]S[6])(C[5]C[5,6]HH){1|H<1>,2|C<4>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	3:3:4:1:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	105.0935	0.456	2	105.0935	0.208	2	105.0935	0.208	2	105.0935	0.208	2	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	S[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	S[5](C[5]C[5,6]HH)(C[5]N[5,6]CH){1|H<1>,2|C<3>}	102.2720	0.000	1	102.2720	0.000	1	104.3240	1.706	6	104.3240	1.706	6	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	105.8070	0.000	1	104.7344	0.869	5	104.3240	1.706	6	104.3240	1.706	6	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	S[5](C[5]C[5,6]HH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	104.4663	0.825	4	104.7344	0.869	5	104.3240	1.706	6	104.3240	1.706	6	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	4:2:4:1:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	S[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	S[5](C[5]C[5,6]HH)2{2|H<1>,2|O<2>}	106.1380	1.720	2	106.1380	2.957	2	106.1380	2.957	2	106.1380	2.957	2	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H)	S[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	S[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<3>}	106.7530	0.000	1	106.7530	0.000	1	106.7530	0.000	1	105.2013	2.476	3	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	S[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	S[5](C[5]N[5,6]C[5]H)(C[5]C[5,6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	104.4255	1.158	2	104.4255	1.340	2	104.4255	1.340	2	105.2013	2.476	3	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	4:3:4:2:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	S[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	S[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<3>}	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:1:1:	4:4:4:4:	4:4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH)	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2{1|N<4>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	S[5](C[5,6]C[5]C[6]2)(C[5]C[5,6]HH){1|N<4>,3|C<4>,6|H<1>}	106.1100	0.000	1	106.1100	0.000	1	106.1100	0.000	1	106.1100	0.000	1	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:4:4:	3:2:4:1:	4:4:	C[5,6]-4:S[5]-2:C-4:C-4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	S[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2{2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	S[5](C[5]C[5,6]CC)(C[5]N[5,6]CC){1|C<3>,1|H<1>,1|O<2>}	100.2500	0.000	1	100.2500	0.000	1	100.2500	0.000	1	100.2500	0.000	1	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:2:4:4:	3:3:4:1:	4:4:	C[5,6]-4:S[5]-2:C-4:C-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	S[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2{2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	S[5](C[5]C[5,6]CC)(C[5]N[5,6]CC){1|C<3>,1|H<1>,1|N<3>}	99.8532	0.000	1	99.8532	0.000	1	99.8532	0.000	1	99.8532	0.000	1	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5,6]	S[5]	4:3:2:1:	4:3:4:4:	4:4:	C[5,6]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	S[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	S[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	105.5110	1.105	4	105.5110	1.221	4	105.5110	1.221	4	105.5110	1.221	4	105.0422	5.740	22	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	2:4:1:1:	2:4:1:1:	4:4:	S[5]-2:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH)	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2{2|C<4>}	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2{2|C<4>}	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	108.1865	0.975	2	108.1865	0.951	2	108.1865	0.951	2	109.6762	7.879	8	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	2:4:1:1:	2:4:1:1:	4:4:	S[5]-2:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH)	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{2|C<4>}	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{2|C<4>}	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.6520	2.644	4	111.6520	6.991	4	110.1728	9.656	6	109.6762	7.879	8	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	2:4:1:1:	2:4:1:1:	4:4:	S[5]-2:C[5]-4:H-1:H-1:	S[5]-2:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH)	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>}	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>}	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH){1|N<2>,3|C<4>,3|H<1>}	107.2145	1.026	2	107.2145	1.053	2	110.1728	9.656	6	109.6762	7.879	8	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	2:4:1:1:	3:4:1:1:	10:4:	S[5]-2:C[5]-4:H-1:H-1:	S[5,5]-3:C[5]-4:H-1:H-1:	Nb[5x3,5,5]-10:C[5]-4:	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	S[5](Nb[5x3,5,5]C[3,3,5]5S[5,5]S[5]Cl2)(C[5]C[5]HH)	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2{2|Cl<1>,1|S<2>,6|C<4>}	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{2|Cl<1>,1|S<2>,2|H<1>,6|C<4>}	S[5](Nb[5x3,5,5]C[3,3,5]5S[5,5]S[5]Cl2)(C[5]C[5]HH){2|C<4>,7|H<1>}	112.1530	1.558	2	112.1530	2.429	2	112.1530	2.429	2	112.1530	2.429	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	2:4:1:1:	3:4:1:1:	9:4:	S[5]-2:C[5]-4:H-1:H-1:	O[5,5]-3:C[5]-4:H-1:H-1:	Nb[5x3,5,5]-9:C[5]-4:	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	S[5](Nb[5x3,5,5]C[3,3,5]5O[5,5]S[5]O)(C[5]C[5]HH)	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2{1|O<1>,1|S<2>,6|C<4>}	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,6|C<4>}	S[5](Nb[5x3,5,5]C[3,3,5]5O[5,5]S[5]O)(C[5]C[5]HH){3|C<4>,6|H<1>}	109.4292	0.579	4	109.4292	0.335	4	109.4292	0.335	4	109.4292	0.335	4	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:3:4:2:	4:4:3:1:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:S[5]-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5])	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	S[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	S[5](C[5]C[6a]2C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	103.6490	0.000	1	103.6490	0.000	1	103.6490	0.000	1	104.5264	1.142	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:1:1:	4:4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	103.8060	0.000	2	103.8060	0.000	2	104.3683	0.949	3	104.5264	1.142	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:1:1:	4:4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2{2|C<3>,2|H<1>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	105.4930	0.000	1	105.4930	0.000	1	104.3683	0.949	3	104.5264	1.142	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:1:1:	4:4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	105.8780	0.000	1	105.8780	0.000	1	105.8780	0.000	1	104.5264	1.142	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:2:1:	4:4:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<2>,1|H<1>,2|C<3>,2|O<2>}	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	102.8940	0.000	1	102.8940	0.000	1	103.6250	1.069	2	103.6250	1.069	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	104.3560	0.000	1	104.3560	0.000	1	103.6250	1.069	2	103.6250	1.069	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:1:	4:4:3:2:	4:4:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	105.2710	0.000	1	105.2710	0.000	1	105.2710	0.000	1	105.2710	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:4:	4:4:1:1:	4:4:	N[6a]-3:C[5]-4:S[5]-2:C-4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO)	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2	S[5](C[5]N[6a]C[5]C)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO){1|C<3>,1|N<2>,1|O<1>,5|H<1>}	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2{2|C<3>,2|H<1>}	S[5](C[5]N[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|F<1>,2|H<1>}	103.1010	0.000	1	103.1010	0.000	1	103.1010	0.000	1	103.1010	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	3:4:2:4:	4:4:3:1:	4:4:	C[6a]-3:C[5]-4:S[5]-2:C-4:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H)	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	105.5120	0.000	1	105.5120	0.000	1	105.5120	0.000	1	105.5120	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:3:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	S[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	105.2420	0.000	1	105.2420	0.000	1	105.2420	0.000	1	106.0390	1.270	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:3:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2{1|C<4>,1|S<2>,3|C<3>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	106.8360	0.000	1	106.8360	0.000	1	106.8360	0.000	1	106.0390	1.270	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	104.8847	0.383	3	104.8847	0.147	3	105.0021	0.230	8	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	104.6310	0.126	2	105.0726	0.313	5	105.0021	0.230	8	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	105.0400	0.000	1	105.0726	0.313	5	105.0021	0.230	8	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	105.0700	0.000	1	105.0726	0.313	5	105.0021	0.230	8	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	105.9910	0.000	1	105.0726	0.313	5	105.0021	0.230	8	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|H<1>,2|C<4>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	103.7270	0.525	2	103.7270	0.275	2	103.7270	0.275	2	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	S[5](C[5,6]N[5,6]C[5a]S[6])(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|S<2>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	S[5](C[5,6]N[5,6]C[5a]S[6])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	104.9200	1.741	2	104.9200	3.031	2	106.0122	3.302	4	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	107.1045	1.450	2	107.1045	2.103	2	106.0122	3.302	4	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2	S[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2{1|H<1>,2|N<2>}	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2{2|N<2>}	S[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){2|P<4>,3|H<1>}	108.6610	2.906	7	108.6610	8.447	7	108.6610	8.447	7	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	S[4,5]-3:C[5]-4:H-1:H-1:	Ga[4,5]-4:C[5]-4:	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2	C[5](S[4,5]Ga[4,5]2)(C[5]S[5]HH)(H)2	S[5](Ga[4,5]S[4,5]2C)(C[5]C[5]HH)	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2{1|Ga<4>,1|C<4>,1|S<3>}	C[5](S[4,5]Ga[4,5]2)(C[5]S[5]HH)(H)2{1|S<2>,1|S<3>,2|C<4>}	S[5](Ga[4,5]S[4,5]2C)(C[5]C[5]HH){1|Ga<4>,1|C<4>,2|H<1>}	113.0880	0.000	1	113.0880	0.000	1	113.0880	0.000	1	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	S[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	S[5](C[5,6]S[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<4>}	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{2|C<4>,3|H<1>}	S[5](C[5,6]S[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<2>,4|H<1>}	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	106.7305	8.228	23	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	S[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	S[5](C[5]C[5]HH)(C[5]O[5]CH){1|H<1>,1|N<3>}	103.8701	1.304	12	103.8701	1.700	12	103.8701	1.700	12	103.8701	1.700	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H)	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	S[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.7110	0.000	1	103.7110	0.000	1	103.7110	0.000	1	104.5366	0.618	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	S[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.9700	0.000	1	103.9700	0.000	1	104.7430	0.540	4	104.5366	0.618	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.0007	0.641	3	105.0007	0.411	3	104.7430	0.540	4	104.5366	0.618	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	106.1225	0.829	2	106.1225	0.688	2	106.8030	1.733	3	106.8030	1.733	3	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C[3x5,6]-4:C[5]-4:	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	108.1640	0.000	1	108.1640	0.000	1	106.8030	1.733	3	106.8030	1.733	3	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[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>}	104.6887	1.352	3	104.6887	1.827	3	104.8710	1.324	9	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	104.5897	0.431	3	104.9622	1.358	6	104.8710	1.324	9	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	107.2610	0.000	1	104.9622	1.358	6	104.8710	1.324	9	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	104.3715	0.138	2	104.9622	1.358	6	104.8710	1.324	9	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:P[5]-4:	C[5](C[5]O[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(O[5]P[5])(H)2	S[5](C[5]C[5]HH)(P[5]O[5]NS)	C[5](C[5]O[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	C[5](C[5]S[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	S[5](C[5]C[5]HH)(P[5]O[5]NS){2|H<1>}	106.7730	0.000	1	106.7730	0.000	1	106.7730	0.000	1	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>}	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.6030	0.482	4	116.6030	0.232	4	113.7103	20.339	6	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{2|C<4>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	107.9250	0.767	2	107.9250	0.588	2	113.7103	20.339	6	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	108.6150	1.486	2	107.7505	1.735	4	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	106.8860	0.072	2	107.7505	1.735	4	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.1450	2.006	5	109.1450	4.024	5	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.2455	0.045	2	108.1623	1.204	6	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<5>,1|N<3>,4|H<1>}	109.0795	0.960	2	108.1623	1.204	6	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	108.1620	1.317	2	108.1623	1.204	6	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	108.3370	0.974	2	109.9350	8.336	12	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<3>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.7765	1.105	4	109.9350	8.336	12	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	109.0842	1.576	4	109.9350	8.336	12	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	115.5515	1.781	2	109.9350	8.336	12	109.0711	5.382	27	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]HH)(C[5]S[5]CH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CH){2|H<1>}	110.0923	1.316	4	110.0923	1.731	4	108.9084	2.695	16	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	106.8030	0.935	2	107.1922	0.341	6	108.9084	2.695	16	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{2|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{2|C<4>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){1|C<4>,2|H<1>,2|S<2>}	107.3868	0.355	4	107.1922	0.341	6	108.9084	2.695	16	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	109.6185	1.391	2	109.6185	1.935	2	108.9084	2.695	16	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.5735	0.293	2	110.5735	0.086	2	108.9084	2.695	16	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.3145	1.156	2	109.3145	1.337	2	108.9084	2.695	16	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:P[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	S[5](C[5]C[5]HH)(P[5]S[5]CS)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|C<4>,1|S<1>}	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|C<4>,1|S<1>}	S[5](C[5]C[5]HH)(P[5]S[5]CS){2|H<1>}	109.9790	0.299	4	109.9790	0.089	4	109.7487	1.024	12	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:P[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	S[5](C[5]C[5]HH)(P[5]S[5]NS)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	S[5](C[5]C[5]HH)(P[5]S[5]NS){2|H<1>}	110.0205	1.526	4	109.6335	1.525	8	109.7487	1.024	12	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:P[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	S[5](C[5]C[5]HH)(P[5]S[5]NS)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<3>,1|S<1>}	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<3>,1|S<1>}	S[5](C[5]C[5]HH)(P[5]S[5]NS){2|H<1>}	109.2465	0.911	4	109.6335	1.525	8	109.7487	1.024	12	108.9763	8.605	71	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:2:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HO)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	S[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HO)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]O[5]CH){1|H<1>,1|O<2>}	104.2350	0.000	1	104.2350	0.000	1	104.2350	0.000	1	104.2350	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|H<1>}	104.1910	0.000	1	104.1910	0.000	1	105.6502	2.355	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|N<3>,1|S<2>,4|H<1>}	103.9670	0.000	1	103.9670	0.000	1	105.6502	2.355	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	105.2610	0.000	1	105.2610	0.000	1	105.6502	2.355	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	105.5380	0.000	1	105.5380	0.000	1	105.6502	2.355	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]Ru)(H)2	S[5](C[5]N[5]RuS)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ru<7>,1|S<2>}	C[5](C[5]S[5]HH)(N[5]C[5]Ru)(H)2{1|S<2>}	S[5](C[5]N[5]RuS)(C[5]C[5]HH){2|H<1>}	107.5460	0.000	1	107.5460	0.000	1	105.6502	2.355	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|S<4>,2|H<1>}	107.3980	0.000	1	107.3980	0.000	1	105.6502	2.355	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	S[5](C[5]C[5]HH)(C[5]S[5]CC)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>,2|C<3>}	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{2|C<3>}	S[5](C[5]C[5]HH)(C[5]S[5]CC){1|O<1>,2|H<1>}	107.7666	1.009	5	107.7666	1.019	5	108.1062	1.507	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{1|C<3>,1|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	109.8040	0.000	1	109.8040	0.000	1	108.1062	1.507	6	106.8782	3.400	12	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	S[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	S[5](C[5]C[5]HH)(C[5]O[5]CH){1|H<1>,1|N<3>}	104.0862	0.808	25	104.0862	0.653	25	104.0862	0.653	25	104.0862	0.653	25	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:3:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HN)(S[5]N[5])(H)2	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H)	S[5](C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5]HN)(S[5]N[5])(H)2{1|C<4>,1|O<1>}	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H){1|C<4>}	S[5](C[5]C[5]HH)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>}	104.7315	0.101	2	104.7315	0.010	2	104.7315	0.010	2	104.7315	0.010	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H)	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H){1|C<4>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	107.7050	0.000	1	107.7050	0.000	1	104.8676	1.233	21	104.8676	1.233	21	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H){2|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]HH){1|H<1>,2|C<3>}	106.0115	0.177	2	106.0115	0.032	2	104.8676	1.233	21	104.8676	1.233	21	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	103.9717	0.566	6	103.9717	0.320	6	104.8676	1.233	21	104.8676	1.233	21	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.9450	0.000	1	103.9450	0.000	1	104.8676	1.233	21	104.8676	1.233	21	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	104.9570	0.852	10	104.9570	0.725	10	104.8676	1.233	21	104.8676	1.233	21	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	105.1460	0.000	1	105.1460	0.000	1	104.8676	1.233	21	104.8676	1.233	21	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	S[5](C[5]C[5]HH)2	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	S[5](C[5]C[5]HH)2{1|H<1>,1|O<2>,2|C<3>}	105.1465	0.892	2	105.1465	0.795	2	105.1465	0.795	2	104.9927	0.469	3	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H)	S[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H){2|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>}	104.6850	0.000	1	104.6850	0.000	1	104.6850	0.000	1	104.9927	0.469	3	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:3:4:2:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	S[5](C[5]C[5]HH)2	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	S[5](C[5]C[5]HH)2{1|H<1>,1|O<2>,2|C<3>}	106.8760	0.553	2	106.8760	0.306	2	106.8760	0.306	2	106.8760	0.306	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:	C[5](C[5]C[5]HH)(S[5]S[5])(H)2	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(S[5]C[5])	C[5](C[5]C[5]HH)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)(S[5]C[5]){1|C<4>,3|H<1>}	107.3365	2.279	2	107.3365	5.194	2	107.3365	5.194	2	107.3365	5.194	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(S[5]C[5])(H)2	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2	S[5](C[5]C[5,5]HH)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	S[5](C[5]C[5,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	108.1640	0.000	1	108.1157	0.026	3	108.1157	0.026	3	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	108.0915	0.218	2	108.1157	0.026	3	108.1157	0.026	3	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2{2|H<1>}	S[5](C[5]C[5]HH)2{1|C<4>,1|N<3>,2|H<1>}	107.2460	0.000	1	107.2460	0.000	1	106.2790	1.121	13	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2	S[5](C[5]N[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>}	S[5](C[5]N[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|F<1>,2|H<1>}	106.5810	0.000	1	106.5810	0.000	1	106.2790	1.121	13	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	105.9763	0.719	3	105.9763	0.517	3	106.2790	1.121	13	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>}	S[5](C[5]C[5]HH)2{4|H<1>}	106.2339	1.259	8	106.2339	1.586	8	106.2790	1.121	13	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	In[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]In[5])(H)2	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2	S[5](In[5]N[5]ClS)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(S[5]In[5])(H)2{1|Cl<1>,1|S<2>,2|C<4>}	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2{1|Cl<1>,1|S<2>}	S[5](In[5]N[5]ClS)(C[5]C[5]HH){2|C<4>,2|H<1>}	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	107.0095	3.862	18	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:	C[5](C[5]C[5]HO)(S[5]S[5])(H)2	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5]HH)(S[5]C[5])	C[5](C[5]C[5]HO)(S[5]S[5])(H)2{2|C<4>}	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5]HH)(S[5]C[5]){1|H<1>,1|O<2>,2|C<4>}	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	105.9730	0.000	1	105.9730	0.000	1	106.2997	0.274	4	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	106.4087	0.583	3	106.4087	0.340	3	106.2997	0.274	4	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S[5](C[5]C[5,5]CH)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>}	106.5490	0.000	1	106.5490	0.000	1	106.5490	0.000	1	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.3003	1.884	4	108.3003	3.549	4	108.3003	3.549	4	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	108.7140	0.000	1	108.7140	0.000	1	107.3720	0.666	5	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	107.2070	0.000	1	107.2070	0.000	1	107.3720	0.666	5	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|O<2>,2|F<1>}	107.3960	0.000	1	107.3960	0.000	1	107.3720	0.666	5	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	106.5340	0.000	1	106.5340	0.000	1	107.3720	0.666	5	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,1|O<2>,2|H<1>}	107.0090	0.000	1	107.0090	0.000	1	107.3720	0.666	5	107.2721	1.747	14	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:S[5]-2:	C[5](C[5]C[5]CH)(S[5]S[5])(H)2	C[5](C[5]S[5]HH)2(COO)(H)	S[5](C[5]C[5]HH)(S[5]C[5])	C[5](C[5]C[5]CH)(S[5]S[5])(H)2{2|H<1>}	C[5](C[5]S[5]HH)2(COO)(H)	S[5](C[5]C[5]HH)(S[5]C[5]){1|C<3>,3|H<1>}	108.0918	1.467	6	108.0918	2.152	6	108.0918	2.152	6	108.1794	1.563	8	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-2:	C[5](C[5]C[5]HN)(S[5]S[5])(H)2	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	S[5](C[5]C[5]HH)(S[5]C[5])	C[5](C[5]C[5]HN)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	S[5](C[5]C[5]HH)(S[5]C[5]){1|C<4>,1|N<3>,2|H<1>}	108.4420	0.000	2	108.4420	0.000	2	108.4420	0.000	2	108.1794	1.563	8	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:Cl-1:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]ClH)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]ClH){2|Cl<1>,2|C<3>,2|H<1>}	105.7060	0.000	1	105.7060	0.000	1	105.7060	0.000	1	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	105.4525	0.489	2	105.4053	0.126	3	105.4053	0.126	3	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){2|Cl<1>,2|C<3>,2|H<1>}	105.3110	0.000	1	105.4053	0.126	3	105.4053	0.126	3	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H)	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>,2|F<1>}	104.4280	0.000	1	104.4280	0.000	1	106.0920	0.944	5	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H)	S[5](C[5]C[5]HH)2	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]HH)(NHS)(H){2|H<1>}	S[5](C[5]C[5]HH)2{2|H<1>,2|N<3>}	106.5080	0.324	4	106.5080	0.105	4	106.0920	0.944	5	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	S[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>}	108.3770	0.098	2	108.3770	0.010	2	108.3770	0.010	2	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{4|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H){2|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]HH){1|C<3>,3|H<1>}	103.9200	0.000	1	103.9200	0.000	1	103.9200	0.000	1	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	C[5](N[5]C[5]NiH)(C[5]S[5]HH)(COO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Ni<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]NiH)(C[5]S[5]HH)(COO)(H){1|C<3>,1|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|Ni<6>,1|C<3>,2|H<1>}	103.7840	0.000	1	103.7840	0.000	1	103.7840	0.000	1	105.9108	2.138	13	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H)	S[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H){2|C<4>}	S[5](C[4,5]C[4]2C[5])(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	105.2230	0.000	1	105.2230	0.000	1	105.2230	0.000	1	107.1318	7.514	6	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	110.6520	0.000	1	110.6520	0.000	1	107.5136	8.300	5	107.1318	7.514	6	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	107.8240	0.000	1	107.8240	0.000	1	107.5136	8.300	5	107.1318	7.514	6	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H)	S[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H){2|C<3>}	S[5](C[5]C[6a]2C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	102.7780	0.000	1	102.7780	0.000	1	107.5136	8.300	5	107.1318	7.514	6	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	108.1570	0.000	2	108.1570	0.000	2	107.5136	8.300	5	107.1318	7.514	6	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:4:2:	4:2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:S[5]-2:	C[5](C[5]C[5]CO)(S[5]S[5])(H)2	C[5](C[5]S[5]HH)2(CCHH)(OH)	S[5](C[5]C[5]HH)(S[5]C[5])	C[5](C[5]C[5]CO)(S[5]S[5])(H)2{2|H<1>}	C[5](C[5]S[5]HH)2(CCHH)(OH)	S[5](C[5]C[5]HH)(S[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	108.5830	3.804	2	108.5830	14.472	2	108.5830	14.472	2	108.5830	14.472	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:1:1:	4:4:4:3:	4:4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CN)(S[5]C[5])(H)2	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS)	S[5](C[5]C[5]HH)2	C[5](C[5]C[5]CN)(S[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS){2|H<1>}	S[5](C[5]C[5]HH)2{1|C<4>,1|N<3>,2|H<1>}	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	S[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO){2|Cl<1>,2|C<3>,2|H<1>}	105.0470	0.947	5	105.0470	0.897	5	105.0470	0.897	5	105.0470	0.897	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:2:1:	4:4:4:4:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	S[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HO)	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>}	S[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HO){1|O<2>,2|C<3>,3|C<4>}	107.5610	0.000	1	107.5610	0.000	1	107.5610	0.000	1	107.5610	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:3:1:	4:2:3:1:	4:4:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H)	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H){1|C<3>,1|H<1>}	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	106.9755	2.840	2	106.9755	8.068	2	106.9755	8.068	2	106.9755	8.068	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:1:1:	4:2:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]CH)(S[5]C[5])	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H){2|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	S[5](C[5]C[5]CH)(S[5]C[5]){4|H<1>}	107.7125	1.397	2	107.7125	1.950	2	107.7125	1.950	2	107.7125	1.950	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2{2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>,2|F<1>}	104.8310	0.000	1	104.8310	0.000	1	105.2450	0.343	2	105.2020	0.177	3	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2{2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|O<2>,2|F<1>}	105.6590	0.000	1	105.6590	0.000	1	105.2450	0.343	2	105.2020	0.177	3	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	105.1160	0.000	1	105.1160	0.000	1	105.1160	0.000	1	105.2020	0.177	3	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	104.9490	0.000	1	104.9490	0.000	1	105.4560	0.514	2	105.4560	0.514	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	S[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	S[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	105.9630	0.000	1	105.9630	0.000	1	105.4560	0.514	2	105.4560	0.514	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:2:2:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	S[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<2>,1|H<1>,2|C<3>,2|O<2>}	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:3:1:	4:2:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S[5]-2:	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	S[5](C[5]C[5]CH)(S[5]C[5])	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H){2|H<1>}	C[5](C[5]S[5]CH)(C[5]S[5]HH)(NHS)(H)	S[5](C[5]C[5]CH)(S[5]C[5]){1|N<3>,3|H<1>}	107.0170	0.000	2	107.0170	0.000	2	107.0170	0.000	2	107.0170	0.000	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H)	S[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(CC[6a]O)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	104.0110	13.855	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H)	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H){2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,1|O<2>,2|H<1>}	101.3790	0.000	1	101.3790	0.000	1	101.3790	0.000	1	104.0110	13.855	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3)	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC){2|Br<1>,1|H<1>,2|C<3>}	104.8070	0.000	1	104.8070	0.000	1	104.6754	0.888	5	104.6754	0.888	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC){1|Br<1>,2|C<3>,2|H<1>}	105.1310	0.000	1	104.6425	1.176	4	104.6754	0.888	5	104.6754	0.888	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	103.5050	0.000	1	104.6425	1.176	4	104.6754	0.888	5	104.6754	0.888	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC){1|N<4>,2|C<3>,2|H<1>}	105.9120	0.000	1	104.6425	1.176	4	104.6754	0.888	5	104.6754	0.888	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	3:4:3:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	N[4,5]-3:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H)	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC){2|Br<1>,1|H<1>,2|C<3>}	104.0220	0.000	1	104.6425	1.176	4	104.6754	0.888	5	104.6754	0.888	5	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	4:3:2:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H)	S[5](C[5]C[5]CC)(C[5]N[5]CC)	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2{1|C<3>,2|C<4>}	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H){2|C<4>}	S[5](C[5]C[5]CC)(C[5]N[5]CC){1|C<3>,1|H<1>,1|S<2>}	101.7420	0.000	1	101.7420	0.000	1	101.7420	0.000	1	101.7420	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	4:3:3:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2{1|C<3>,2|H<1>}	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|N<2>,2|C<3>,2|H<1>}	102.2070	0.000	1	102.2070	0.000	1	102.2070	0.000	1	102.2070	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:S[5]-2:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	C[5](N[5]C[5]ReC)(C[5]S[5]CC)(H)2	S[5](C[5]C[5]CC)(C[5]N[5]CH)	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|Re<5>,1|H<1>,2|C<4>}	C[5](N[5]C[5]ReC)(C[5]S[5]CC)(H)2{1|C<4>,1|H<1>}	S[5](C[5]C[5]CC)(C[5]N[5]CH){1|Re<5>,1|C<4>,2|H<1>}	104.4160	0.000	1	104.4160	0.000	1	104.4160	0.000	1	104.4160	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:2:4:4:	4:4:2:1:	4:2:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5]CC)(S[5]C[5])	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2{2|H<1>}	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	S[5](C[5]C[5]CC)(S[5]C[5]){1|O<2>,3|H<1>}	104.6500	0.000	1	104.6500	0.000	1	104.6500	0.000	1	104.6500	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:3:2:1:	4:3:2:1:	4:4:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H)	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,5|H<1>}	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,5|H<1>}	S[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|N<3>,1|S<2>,4|H<1>}	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:3:3:2:	4:3:3:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5])	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	S[5](C[5]C[6a]2C[5])(C[5]N[5]CC)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5]){4|H<1>,9|C<3>}	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	S[5](C[5]C[6a]2C[5])(C[5]N[5]CC){1|H<1>,6|C<3>}	101.1990	0.083	2	101.1990	0.007	2	101.1990	0.007	2	101.1990	0.007	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	106.1430	0.000	1	106.1430	0.000	1	105.6515	0.483	2	105.6515	0.483	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	5:SP3_SP3_SP3	C[5]	C[5]	S[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:S[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	S[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	105.1600	0.000	1	105.1600	0.000	1	105.6515	0.483	2	105.6515	0.483	2	106.6967	7.790	308	106.1067	8.313	512
474	474	891	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	S[5,6]	4:4:2:1:	4:3:1:1:	4:3:	C[5,5]-4:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(S[5,6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O){1|N<3>,5|H<1>}	108.3935	0.651	2	108.3935	0.424	2	108.3935	0.424	2	108.3935	0.424	2	108.3935	0.424	2	108.3935	0.424	2
474	474	891	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5,6]	4:3:2:1:	4:3:3:1:	4:4:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5,6]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H)	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(S[5,6]C[5,6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	110.2865	4.802	2	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	S[5,6]	4:3:2:1:	4:4:3:2:	4:4:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H)	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH){1|H<1>,2|C<3>,2|O<1>,4|C<4>}	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	110.2865	4.802	2	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,6]	3:4:2:1:	4:2:1:1:	4:4:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2	S[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	S[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH){1|C<3>,1|S<2>,3|H<1>}	110.2565	0.703	15	110.2565	0.494	15	110.2565	0.494	15	110.2565	0.494	15	110.1633	0.600	16	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,5,6]	C[5,6]	S[5,6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5,5]-2:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	S[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H){1|O<2>,4|H<1>}	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	S[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|O<2>,2|H<1>}	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	110.1633	0.600	16	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	S[5,6]	4:2:3:1:	4:4:4:2:	4:4:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	S[5,6]	4:2:4:2:	4:4:3:1:	4:4:	C[5,5,6]-4:S[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6])	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	S[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6]	C[3x5,6]	S[5,6]	4:2:3:1:	4:4:3:4:	4:4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH)	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	S[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[3x5,6]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	102.4210	0.000	1	102.4210	0.000	1	102.4210	0.000	1	102.4210	0.000	1	103.1773	0.449	4	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6]	C[3x5,6]	S[5,6]	4:2:3:3:	4:3:2:2:	4:4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	104.0440	0.000	1	103.4293	0.292	3	103.4293	0.292	3	103.4293	0.292	3	103.1773	0.449	4	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6]	C[3x5,6]	S[5,6]	4:2:3:3:	4:3:2:2:	4:4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	103.0270	0.000	1	103.4293	0.292	3	103.4293	0.292	3	103.4293	0.292	3	103.1773	0.449	4	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6]	C[3x5,6]	S[5,6]	4:2:3:3:	4:3:2:2:	4:4:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	103.2170	0.000	1	103.4293	0.292	3	103.4293	0.292	3	103.4293	0.292	3	103.1773	0.449	4	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	S[5,6]	4:2:1:1:	3:4:2:1:	4:4:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	S[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	S[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH){1|C<3>,1|S<2>,3|H<1>}	103.6639	0.512	15	103.6639	0.262	15	103.6639	0.262	15	103.6639	0.262	15	103.6710	0.246	16	106.6062	11.281	40
474	474	891	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	S[5,6]	4:2:1:1:	4:4:2:1:	4:4:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	S[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	S[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|O<2>,2|H<1>}	103.7780	0.000	1	103.7780	0.000	1	103.7780	0.000	1	103.7780	0.000	1	103.6710	0.246	16	106.6062	11.281	40
474	474	892	0:SP3_SP3_SP3	C[5,5]	C[3x5]	N	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[3,5,5]-4:C[3x5]-4:N-4:C-3:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H)	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO){1|C<3>,5|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]CN)(C[5,5]C[3,5,5]HH)(H){3|H<1>}	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|C<3>,4|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	110.4270	0.000	1	110.4270	0.000	1	111.7350	1.283	3	111.7350	1.283	3	112.9535	2.648	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	112.3890	0.000	2	112.3890	0.000	2	111.7350	1.283	3	111.7350	1.283	3	112.9535	2.648	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){1|N<4>,4|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	112.5755	0.945	2	112.5755	0.894	2	112.5755	0.894	2	112.5755	0.894	2	112.9535	2.648	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	115.2250	0.006	2	115.2250	0.000	2	115.2250	0.000	2	115.2250	0.000	2	112.9535	2.648	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:N-4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CN)(C[5,6]C[5,6]HH)(H){5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	112.9535	2.648	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	112.3280	0.000	2	112.3280	0.000	2	112.3280	0.000	2	112.3280	0.000	2	112.5325	9.942	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	114.3030	4.968	2	114.3030	24.682	2	114.3030	24.682	2	114.3030	24.682	2	112.5325	9.942	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(COO)(H){1|C<4>,5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	112.5325	9.942	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	112.0575	2.874	2	112.0575	8.262	2	112.0575	8.262	2	112.0575	8.262	2	112.5325	9.942	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:N-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<4>,5|H<1>}	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	112.5325	9.942	8	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	3:4:4:1:	4:3:2:1:	4:4:4:4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	N(C[5]C[5,6a]C[5]H)(CCHH)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	N(C[5]C[5,6a]C[5]H)(CCHH)3	114.0935	1.541	2	114.0935	2.374	2	114.0935	2.374	2	114.0935	2.374	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	N(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	N(C[5]C[5,6a]C[5]H)(H)3	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	N(C[5]C[5]2H)(H)3	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	N(C[5]C[5]2H)(H)3	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:3:1:1:	4:4:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	N(C[5]C[5]2H)(CC[6a]3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<3>}	N(C[5]C[5]2H)(CC[6a]3)(H)2	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:3:3:1:	4:4:4:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	115.1475	0.537	2	115.1475	0.288	2	114.0663	3.651	3	114.0663	3.651	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:3:3:1:	4:4:4:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	N(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	N(C[5]C[5]2H)(CH3)2(H)	111.9040	0.000	1	111.9040	0.000	1	114.0663	3.651	3	114.0663	3.651	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	N(C[5]C[5]2H)(H)3	112.1270	0.000	1	112.1270	0.000	1	113.5147	1.456	3	113.5147	1.456	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|C<4>}	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	N(C[5]C[5]2H)(H)3	114.3150	0.000	1	114.3150	0.000	1	113.5147	1.456	3	113.5147	1.456	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	N(C[5]C[5]2H)(H)3	114.1020	0.000	1	114.1020	0.000	1	113.5147	1.456	3	113.5147	1.456	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	N(C[5]C[5]2H)(H)3	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:N-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2	N(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H){1|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	N(C[5]C[3,5]C[5]H)(H)3	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	112.7260	0.119	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)2(NH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{2|C<3>,3|H<1>}	N(C[5]C[5]2H)(H)3	112.6390	0.440	2	112.6390	0.193	2	112.6390	0.193	2	112.7260	0.119	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:2:4:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)2	110.6790	0.116	2	110.6790	0.013	2	110.6790	0.013	2	110.6790	0.013	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)2	110.1075	0.363	2	110.1075	0.132	2	110.1075	0.132	2	110.6620	0.988	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{4|H<1>}	N(C[5]C[5]2H)(CCCH)(H)2	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	110.6620	0.988	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	N(C[5]C[5]2H)(H)3	110.7810	0.964	2	110.7810	0.930	2	111.8442	1.571	26	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	N(C[5]C[5]2H)(H)3	114.0390	0.000	1	112.8667	1.136	3	111.8442	1.571	26	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[5]C[5]2H)(H)3	111.9560	0.000	1	112.8667	1.136	3	111.8442	1.571	26	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	N(C[5]C[5]2H)(H)3	112.6050	0.000	1	112.8667	1.136	3	111.8442	1.571	26	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	N(C[5]C[5]2H)(H)3	112.3560	0.000	1	112.3560	0.000	1	111.8442	1.571	26	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{4|H<1>}	N(C[5]C[5]2H)(H)3	111.1265	0.981	4	111.1265	0.962	4	111.8442	1.571	26	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	N(C[5]C[5]2H)(H)3	111.9327	1.300	16	111.9327	1.690	16	111.8442	1.571	26	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H)	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2{4|H<1>}	N(C[5]C[5]2H)(H)3	110.0892	1.533	4	110.0892	2.351	4	110.0892	2.351	4	111.6102	1.966	30	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	N(C[5]C[5]2H)(CC[6a]CH)(H)2	109.1530	0.403	2	110.5803	6.193	3	112.2714	5.952	11	112.2714	5.952	11	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	N(C[5]C[5]2H)(CC[6a]CH)(H)2	113.4350	0.000	1	110.5803	6.193	3	112.2714	5.952	11	112.2714	5.952	11	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2{3|H<1>,5|C<3>}	N(C[5]C[5]2H)(CC[6a]CH)(H)2	108.5350	0.000	1	108.5350	0.000	1	112.2714	5.952	11	112.2714	5.952	11	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)2	111.7750	0.126	2	111.7750	0.016	2	112.2714	5.952	11	112.2714	5.952	11	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	N(C[5]C[5]2H)(CCHH)(H)2	114.6650	0.609	4	114.6650	0.371	4	112.2714	5.952	11	112.2714	5.952	11	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	N(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CCCH)(H)2	112.4990	0.000	1	112.4990	0.000	1	112.2714	5.952	11	112.2714	5.952	11	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	N(C[5]C[5]2H)(CC[6a]HH)2(H)	112.6065	0.876	2	112.6065	0.768	2	112.6065	0.768	2	112.6065	0.768	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	N(C[5]C[5]2H)(H)3	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	N(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	N(C[5]C[5]2H)(CCHH)(H)2	111.1757	0.662	4	111.1757	0.438	4	111.1757	0.438	4	111.1757	0.438	4	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)2(H)	111.5970	2.336	2	111.5970	5.458	2	111.5970	5.458	2	111.5970	5.458	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HN)(COO)(H){4|H<1>}	N(C[5]C[5]2H)(H)3	111.8720	0.000	1	111.8720	0.000	1	113.1293	4.336	3	113.1293	4.336	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){4|H<1>}	N(C[5]C[5]2H)(H)3	115.5330	0.000	1	115.5330	0.000	1	113.1293	4.336	3	113.1293	4.336	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	N(C[5]C[5]2H)(H)3	111.9830	0.000	1	111.9830	0.000	1	113.1293	4.336	3	113.1293	4.336	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]CH)(H)2	112.1020	0.569	3	111.8678	0.435	4	111.8678	0.435	4	111.8678	0.435	4	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(COO)(H){2|C<4>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]CH)(H)2	111.1650	0.000	1	111.8678	0.435	4	111.8678	0.435	4	111.8678	0.435	4	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)2	113.0920	0.178	2	113.0920	0.032	2	113.0920	0.032	2	113.0920	0.032	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	N(C[5]C[5]2H)(H)3	115.9390	0.946	2	115.9390	0.895	2	115.9390	0.895	2	115.9390	0.895	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:C-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)2(NH3)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	N(C[5]C[5]2C)(H)3	109.0665	0.470	2	109.0665	0.221	2	109.0665	0.221	2	109.0665	0.221	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C[5]-4:N-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO)	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2	N(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO){1|C<3>,1|F<1>,3|H<1>}	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2{1|C<4>,2|H<1>}	N(C[5]C[3,5]C[5]C)(H)3	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	110.1264	0.341	5	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(NH3)(COO)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(NH3)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	N(C[5]C[5]2C)(H)3	109.7385	0.045	2	109.7385	0.002	2	109.8742	0.031	4	110.1264	0.341	5	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)2(NH3)(COO)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(NH3)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2{2|C<3>,4|H<1>}	N(C[5]C[5]2C)(H)3	110.0100	0.133	2	110.0100	0.018	2	109.8742	0.031	4	110.1264	0.341	5	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:N-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)2(NCHH)(COO)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	N(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)2(NCHH)(COO){4|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	N(C[5]C[5]2C)(CC[6]HH)(H)2	110.4690	0.980	2	110.4690	0.960	2	110.4690	0.960	2	110.4690	0.960	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:N-4:P-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)2(NH3)(PO3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2	N(C[5]C[5]2P)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(PO3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2{2|C<3>,3|H<1>}	N(C[5]C[5]2P)(H)3	107.6415	1.105	2	107.6415	1.221	2	107.6415	1.221	2	107.6415	1.221	2	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:N-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|C<3>,3|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N(C[5]C[5]2C)(H)3	107.4900	0.000	1	107.2867	0.056	3	107.2867	0.056	3	107.2867	0.056	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:N-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|N<4>,3|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	N(C[5]C[5]2C)(H)3	107.1850	0.223	2	107.2867	0.056	3	107.2867	0.056	3	107.2867	0.056	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5]-4:C[5]-4:C-4:N-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2{4|H<1>}	N(C[5]C[5]2C)(H)3	109.3790	0.000	1	109.3790	0.000	1	111.4400	4.854	3	111.4400	4.854	3	111.7580	4.257	98	111.8920	4.521	115
474	474	892	0:SP3_SP3_SP3	C[5]	C[5]	N	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5]-4:C[5]-4:C-4:N-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|N<4>,3|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	N(C[5]C[5]2C)(H)3	112.4705	1.826	2	112.4705	3.336	2	111.4400	4.854	3	111.4400	4.854	3	111.7580	4.257	98	111.8920	4.521	115
474	474	893	0:SP3_SP2_SP3	C[3x5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:C-3:	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC)	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H)	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:3:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[3x5,6]-4:C-3:	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[3x5,6]	C[5,5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[3x5,6]-4:C-3:	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	114.0010	0.000	1	114.0010	0.000	1	110.2737	10.633	3	110.2737	10.633	3	110.2737	10.633	3	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	108.4100	0.653	2	108.4100	0.427	2	110.2737	10.633	3	110.2737	10.633	3	110.2737	10.633	3	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:3:2:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,5,6,6]-4:C-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	114.2480	0.444	2	114.2480	0.197	2	114.2480	0.197	2	114.2480	0.197	2	114.8832	9.695	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	118.0550	0.000	1	118.0550	0.000	1	118.0550	0.000	1	118.0550	0.000	1	114.8832	9.695	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,5,6,6]-4:C-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	109.3550	0.000	1	109.3550	0.000	1	114.2493	18.102	3	114.2493	18.102	3	114.8832	9.695	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,5,6,6]-4:C-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	116.6965	0.523	2	116.6965	0.273	2	114.2493	18.102	3	114.2493	18.102	3	114.8832	9.695	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	O	4:4:3:2:	4:4:2:1:	4:3:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC)	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC){1|C<4>,2|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|O<1>,1|S<2>,2|F<1>,2|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	118.9830	0.000	1	118.9830	0.000	1	118.9830	0.000	1	118.9830	0.000	1	113.3155	27.580	4	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	O	4:4:3:2:	4:4:4:1:	4:3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC)	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[6,6]O[5])(C[3x5,6]C[5,5,6]C[5,5]O)(C[5,5,6]C[5,5,6]C[5]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	113.3155	27.580	4	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC){3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]C[5]O)(C[5,5]C[5,5,6]CC)(H){9|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	108.8590	0.604	2	108.8590	0.365	2	108.8590	0.365	2	108.8590	0.365	2	113.3155	27.580	4	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	105.4390	0.000	1	105.4390	0.000	1	105.4390	0.000	1	105.4390	0.000	1	105.4390	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	O	4:4:4:2:	4:2:2:1:	4:3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC)	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC){1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	112.1220	1.935	5	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC){3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	111.6345	0.602	2	111.6345	0.362	2	111.6345	0.362	2	111.6345	0.362	2	112.1220	1.935	5	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	112.1220	1.935	5	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:3:2:	4:3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,5,6]-4:C-3:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	112.1220	1.935	5	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC){3|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	111.3570	1.788	2	111.3570	3.195	2	111.3570	3.195	2	111.3570	3.195	2	111.3570	3.195	2	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	116.9970	0.000	1	116.9970	0.000	1	115.8190	2.775	2	115.8190	2.775	2	115.8190	2.775	2	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	114.6410	0.000	1	114.6410	0.000	1	115.8190	2.775	2	115.8190	2.775	2	115.8190	2.775	2	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	110.2605	1.944	2	110.2605	3.779	2	110.2605	3.779	2	110.2605	3.779	2	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3){2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	112.5935	3.946	2	112.5950	10.297	4	112.5950	10.297	4	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){3|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	112.5965	3.914	2	112.5950	10.297	4	112.5950	10.297	4	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[5,5]C[5,5,6]2H)(CCO)	114.8265	1.433	2	114.8265	2.054	2	114.0460	1.465	7	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[5,5]C[5,5,6]2H)(CCO)	112.1960	0.000	1	112.1960	0.000	1	114.0460	1.465	7	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2H)(CCO)	114.6140	0.000	1	114.6140	0.000	1	114.0460	1.465	7	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[5,5]C[5,5,6]2H)(CCO)	113.9530	0.934	3	113.9530	0.873	3	114.0460	1.465	7	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	O(C[5,5]C[5,5,6]2H)(CCO)	109.9670	0.000	1	109.9670	0.000	1	111.1803	4.420	3	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){4|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	111.7870	2.575	2	111.7870	6.632	2	111.1803	4.420	3	113.0174	5.136	14	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6]2H)(CCO)	111.2405	0.626	2	111.2405	0.392	2	111.7895	0.850	4	111.3475	1.217	8	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[5,5]C[5,5,6]2H)(CCO)	111.6480	0.000	1	111.6480	0.000	1	111.7895	0.850	4	111.3475	1.217	8	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O(C[5,5]C[5,5,6]2H)(CCO)	113.0290	0.000	1	113.0290	0.000	1	111.7895	0.850	4	111.3475	1.217	8	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	O(C[5,5]C[5,5,6]2H)(CCO)	110.9055	1.212	4	110.9055	1.469	4	110.9055	1.469	4	111.3475	1.217	8	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){8|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)2(H){5|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	111.7095	2.232	2	111.7095	4.983	2	111.6813	2.494	3	111.6813	2.494	3	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<4>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	111.6250	0.000	1	111.6250	0.000	1	111.6813	2.494	3	111.6813	2.494	3	112.1447	4.000	28	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:3:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	115.8970	0.000	1	115.8970	0.000	1	115.8970	0.000	1	111.4585	39.401	2	112.5807	13.929	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:3:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H)	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	111.4585	39.401	2	112.5807	13.929	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:3:4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5])	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5]){1|C<4>,1|O<1>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	112.5807	13.929	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:3:4:1:	4:3:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	114.5585	0.377	2	114.5585	0.142	2	114.5585	0.142	2	114.5585	0.142	2	112.5807	13.929	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	110.1700	12.390	2	112.5807	13.929	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H)	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,6|H<1>}	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	110.1700	12.390	2	112.5807	13.929	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,6]	O	4:4:4:2:	4:3:2:1:	4:3:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6]-3:O[6]-2:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H){3|C<4>,6|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	108.6587	14.298	3	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	106.4760	0.112	2	106.4760	0.012	2	106.4760	0.012	2	106.4760	0.012	2	108.6587	14.298	3	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5])	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5]){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	110.2737	8.234	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:3:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C-3:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	105.3020	0.000	1	105.3020	0.000	1	105.3020	0.000	1	105.3020	0.000	1	110.2737	8.234	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	111.9500	0.736	4	110.2737	8.234	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-3:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	112.1445	0.118	2	112.1445	0.014	2	112.1445	0.014	2	111.9500	0.736	4	110.2737	8.234	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-3:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	111.9500	0.736	4	110.2737	8.234	6	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O	4:2:4:2:	4:4:4:1:	4:3:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:C-3:	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[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	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[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	106.4780	0.000	1	106.4780	0.000	1	106.4780	0.000	1	106.4780	0.000	1	111.7885	56.403	2	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:1:	4:3:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:C-3:	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[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	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[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	111.7885	56.403	2	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:4:2:	3:3:4:2:	4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	111.5695	0.641	4	111.5695	0.411	4	111.2457	0.499	6	111.2457	0.499	6	111.2357	0.416	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	3:3:4:2:	3:3:4:2:	4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi){8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	110.5980	0.000	2	110.5980	0.000	2	111.2457	0.499	6	111.2457	0.499	6	111.2357	0.416	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.2357	0.416	7	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H){4|H<1>,5|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H){2|C<4>,5|H<1>}	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6,6]	O	4:3:2:1:	4:4:4:3:	4:3:	C[5,5,6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C-3:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H)	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	106.5975	0.027	2	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<1>,2|C<4>,5|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.5975	0.027	2	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	3:4:4:3:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:2:2:4:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H){1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	111.4370	0.000	1	111.4370	0.000	1	111.4370	0.000	1	111.4370	0.000	1	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	110.5743	2.132	4	110.5743	4.547	4	110.5743	4.547	4	110.5743	4.547	4	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	106.6115	0.299	2	106.6115	0.089	2	107.8050	4.318	3	107.8050	4.318	3	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	110.1920	0.000	1	110.1920	0.000	1	107.8050	4.318	3	107.8050	4.318	3	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[4x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H)	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H)	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H){4|H<1>,5|C<4>}	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]HO)(C[5]C[5]HH)(H){3|C<4>,7|H<1>}	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	108.5037	5.938	6	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	105.3580	0.000	1	105.3580	0.000	1	105.3580	0.000	1	108.5037	5.938	6	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	106.2790	0.000	1	108.1655	7.118	2	108.7360	4.535	3	108.5037	5.938	6	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	110.0520	0.000	1	108.1655	7.118	2	108.7360	4.535	3	108.5037	5.938	6	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PtH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CPtO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PtH)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pt<6>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CPtO)	109.8770	0.000	1	109.8770	0.000	1	108.7360	4.535	3	108.5037	5.938	6	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	108.5037	5.938	6	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	110.0020	0.000	1	110.0020	0.000	1	110.3776	3.547	8	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	111.8370	0.000	1	111.8370	0.000	1	110.3776	3.547	8	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	110.5860	1.482	2	110.5860	2.197	2	110.3776	3.547	8	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	108.2160	0.000	1	108.2160	0.000	1	110.3776	3.547	8	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	107.8910	0.000	1	107.8910	0.000	1	110.3776	3.547	8	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	110.4570	0.000	1	110.4570	0.000	1	110.3776	3.547	8	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|N<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	113.4460	0.000	1	113.4460	0.000	1	110.3776	3.547	8	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	109.8305	0.359	6	109.8305	0.129	6	109.8305	0.129	6	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	110.0870	0.559	2	110.0870	0.312	2	110.3040	2.681	5	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	109.6410	0.000	1	109.6410	0.000	1	110.3040	2.681	5	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	110.8525	3.046	2	110.8525	9.275	2	110.3040	2.681	5	110.1855	2.073	19	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:2:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	112.0210	0.000	1	110.4035	3.665	4	110.4035	3.665	4	110.4035	3.665	4	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:2:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|F<1>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	109.8643	1.937	3	110.4035	3.665	4	110.4035	3.665	4	110.4035	3.665	4	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:2:4:	4:3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC)	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|S<2>,2|F<1>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:3:	4:3:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	105.0570	0.000	1	105.0570	0.000	1	105.0570	0.000	1	105.0570	0.000	1	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	109.9812	5.393	42	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:2:3:2:	4:4:3:1:	4:3:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	3:3:4:4:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<2>,6|C<3>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	110.5100	2.150	2	110.5100	4.621	2	110.5100	4.621	2	110.5100	4.621	2	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:3:4:4:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	107.5870	1.274	2	107.5870	1.624	2	107.5870	1.624	2	107.5870	1.624	2	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H){1|H<1>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:2:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	114.6450	0.833	2	114.6450	0.694	2	114.6450	0.694	2	114.6450	0.694	2	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	108.9638	1.694	5	109.3164	2.277	7	109.3164	2.277	7	108.6470	5.537	8	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	110.1980	0.095	2	109.3164	2.277	7	109.3164	2.277	7	108.6470	5.537	8	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	103.9610	0.000	1	103.9610	0.000	1	103.9610	0.000	1	108.6470	5.537	8	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H){2|H<1>,5|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	114.2945	0.132	2	114.2945	0.017	2	114.2945	0.017	2	113.9606	5.792	10	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	113.9606	5.792	10	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	109.8230	0.232	2	109.8230	0.054	2	113.8881	8.637	7	113.9606	5.792	10	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	115.9270	0.000	1	116.0125	0.177	4	113.8881	8.637	7	113.9606	5.792	10	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	116.0410	0.510	3	116.0125	0.177	4	113.8881	8.637	7	113.9606	5.792	10	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	113.5210	0.000	1	113.5210	0.000	1	113.8881	8.637	7	113.9606	5.792	10	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<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]){3|O<2>,4|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	111.2807	1.461	6	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<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]){2|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	111.0795	0.821	4	111.0795	0.674	4	111.5100	1.432	5	111.2807	1.461	6	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<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]){2|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	113.2320	0.000	1	113.2320	0.000	1	111.5100	1.432	5	111.2807	1.461	6	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	104.5840	0.000	1	104.5840	0.000	1	104.5840	0.000	1	104.5840	0.000	1	111.2442	10.648	33	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:3:2:1:	4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H){1|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	106.1305	13.071	2	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	103.5740	0.000	1	103.5740	0.000	1	103.5740	0.000	1	106.1305	13.071	2	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	109.6280	3.311	2	109.6280	10.961	2	109.6280	10.961	2	109.6280	10.961	2	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	110.5940	0.000	1	110.5940	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	111.5520	0.000	1	111.5520	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	112.1630	0.000	1	112.1630	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	113.0860	1.226	2	113.0860	1.503	2	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	113.4330	0.000	1	113.4330	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	112.0220	0.000	1	112.0220	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	107.5510	0.000	1	107.5510	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	110.2280	0.000	1	111.8713	2.218	3	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	112.2540	0.000	1	111.8713	2.218	3	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	113.1320	0.000	1	111.8713	2.218	3	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{2|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	108.1310	0.000	1	108.1310	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	114.8590	0.000	1	114.8590	0.000	1	111.6993	4.531	13	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	113.4655	0.726	6	113.4655	0.527	6	113.4655	0.527	6	112.2571	3.878	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	111.0995	2.215	4	111.0995	4.908	4	111.0995	4.908	4	111.0995	4.908	4	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-2:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]HO)(O[5]C[5])(CC)	O(C[5,6]C[5,6]2H)(CHO)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]HO)(O[5]C[5])(CC){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(CHO)	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[6a]O)(H){1|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	110.7200	0.000	1	110.7200	0.000	1	111.0305	0.193	2	109.8205	7.017	11	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(COO)(H){1|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	111.3410	0.000	1	111.3410	0.000	1	111.0305	0.193	2	109.8205	7.017	11	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NC[6a]S)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	109.8205	7.017	11	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	113.1830	2.209	2	113.1830	4.880	2	113.1830	4.880	2	109.8205	7.017	11	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	107.7568	1.632	5	108.5087	5.522	6	108.5087	5.522	6	109.8205	7.017	11	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	112.2680	0.000	1	108.5087	5.522	6	108.5087	5.522	6	109.8205	7.017	11	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	114.1495	0.158	2	114.1495	0.025	2	111.1564	7.357	9	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	107.1930	0.024	2	107.1930	0.001	2	111.1564	7.357	9	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	109.0530	0.000	1	111.5446	2.186	5	111.1564	7.357	9	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	112.1675	0.572	4	111.5446	2.186	5	111.1564	7.357	9	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	114.8170	0.000	1	114.8170	0.000	1	114.8170	0.000	1	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(CCO)	109.6100	0.363	2	110.4116	1.116	7	110.4116	1.116	7	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(CCO)	110.7322	1.091	5	110.4116	1.116	7	110.4116	1.116	7	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	O(C[5,6]C[5,6]2H)(CHO)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	O(C[5,6]C[5,6]2H)(CHO)	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	111.2487	4.907	19	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	108.4310	0.850	3	108.6442	0.488	5	108.6442	0.488	5	108.6442	0.488	5	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	109.2540	0.000	1	108.6442	0.488	5	108.6442	0.488	5	108.6442	0.488	5	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	108.6740	0.000	1	108.6442	0.488	5	108.6442	0.488	5	108.6442	0.488	5	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(CCO)	110.4455	0.108	2	110.4455	0.012	2	111.6020	0.820	7	111.6020	0.820	7	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(CCO)	112.0646	0.539	5	112.0646	0.291	5	111.6020	0.820	7	111.6020	0.820	7	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|H<1>,1|S<2>,2|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	106.1410	0.000	1	106.1410	0.000	1	106.9444	8.723	5	108.3482	18.801	6	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	105.0130	0.000	1	107.1453	11.361	4	106.9444	8.723	5	108.3482	18.801	6	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	107.8560	3.743	3	107.1453	11.361	4	106.9444	8.723	5	108.3482	18.801	6	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|S<4>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	108.3482	18.801	6	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	112.0000	0.000	1	114.3410	1.841	5	114.3410	1.841	5	112.6708	18.210	6	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	114.9262	0.415	4	114.3410	1.841	5	114.3410	1.841	5	112.6708	18.210	6	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	104.3200	0.000	1	104.3200	0.000	1	104.3200	0.000	1	112.6708	18.210	6	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:3:4:1:	4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2C[6])(CCO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	O(C[5,6]C[5,6]2C[6])(CCO)	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|F<1>,4|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	104.2730	0.000	1	104.2730	0.000	1	104.2730	0.000	1	104.2730	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:3:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH)	O(C[5,6]C[5,6]2C)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC){1|O<1>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH){1|C<4>,3|H<1>}	O(C[5,6]C[5,6]2C)(CCO)	102.6090	0.000	1	102.6090	0.000	1	102.6090	0.000	1	102.6090	0.000	1	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H)	O(C[5,6]C[5,6]2C)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC){1|O<1>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5,6]C[5,6]2C)(CCO)	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	106.1132	10.627	4	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2C[6])(CCO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]2C[6])(CCO)	102.5480	0.000	1	102.5480	0.000	1	102.5480	0.000	1	106.1132	10.627	4	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	105.0670	0.000	1	105.0670	0.000	1	105.0670	0.000	1	106.1132	10.627	4	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.1132	10.627	4	110.5296	10.368	94	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:4:2:1:	4:3:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-3:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	O(C[5,6]N[5,6]C[5]C[6])(CCO)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	O(C[5,6]N[5,6]C[5]C[6])(CCO)	102.8450	0.000	1	102.8450	0.000	1	102.8450	0.000	1	102.8450	0.000	1	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2{1|H<1>,1|O<2>,3|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	104.3910	0.000	1	104.3910	0.000	1	104.3910	0.000	1	104.3910	0.000	1	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	103.3750	0.000	1	103.3750	0.000	1	103.3750	0.000	1	103.3750	0.000	1	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:2:1:1:	4:3:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2{2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	105.3530	0.000	1	105.3530	0.000	1	105.3530	0.000	1	108.9190	25.433	2	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	108.9190	25.433	2	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:F-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CCO)	105.3780	0.000	1	105.3780	0.000	1	105.3780	0.000	1	105.3780	0.000	1	108.1914	24.189	9	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[3x5]	O	4:3:2:1:	4:4:4:2:	4:3:	C[3x5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:C-3:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H)	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5])	O(C[5]C[3x5]C[5]H)(CC[5a]O)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H){1|B<3>,1|O<2>,5|C<4>}	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[5]C[3x5]C[5]H)(CC[5a]O)	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,3x6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5,3x6]C[5]H)(CCO)	112.1450	0.000	1	112.1310	0.000	2	112.1310	0.000	2	112.1310	0.000	2	108.0118	22.648	4	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,3x6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,3x6]C[5]H)(CCO)	112.1170	0.000	1	112.1310	0.000	2	112.1310	0.000	2	112.1310	0.000	2	108.0118	22.648	4	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,3x6]	O	4:4:2:1:	3:3:4:2:	4:3:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:C-3:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	O(C[5]C[5,3x6]C[5,5]H)(CCO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[5]C[5,3x6]C[5,5]H)(CCO)	103.8925	0.267	2	103.8925	0.071	2	103.8925	0.071	2	103.8925	0.071	2	108.0118	22.648	4	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	3:4:2:1:	4:4:4:1:	4:3:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	O(C[5]C[5,5,6]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	O(C[5]C[5,5,6]C[5,6a]H)(CC[6a]O)	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:2:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5,6]O[5]H)(CCO)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(H){1|C<3>,1|O<1>,4|H<1>}	O(C[5]C[5,5,6]O[5]H)(CCO)	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H)	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HO)(H){1|C<3>,6|H<1>}	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	111.5793	6.159	3	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	O(C[5]C[5,5,6]N[5]H)(CNO)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5,5,6]N[5]H)(CNO)	110.1480	0.163	2	110.1480	0.026	2	110.1480	0.026	2	111.5793	6.159	3	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	3:4:3:4:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	O(C[5]C[5,5,6]C[5]H)(CCO)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	O(C[5]C[5,5,6]C[5]H)(CCO)	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H){1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	116.0775	7.256	4	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	117.8900	0.000	1	117.2150	0.911	2	117.3900	0.547	3	116.0775	7.256	4	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|N<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	116.5400	0.000	1	117.2150	0.911	2	117.3900	0.547	3	116.0775	7.256	4	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){1|O<2>,5|H<1>,7|C<4>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	117.7400	0.000	1	117.7400	0.000	1	117.3900	0.547	3	116.0775	7.256	4	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){11|H<1>,1|C<4>,1|O<2>}	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	109.3530	0.386	2	109.3530	0.149	2	109.3530	0.149	2	109.3530	0.149	2	111.6478	15.491	13	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:4:1:	4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	O(C[5]C[5,6a]C[5,5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[5]C[5,6a]C[5,5]H)(CCO)	112.5370	0.331	2	112.5370	0.110	2	112.5370	0.110	2	112.5370	0.110	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]O[5]H)(CCO)	106.4120	0.000	1	106.4120	0.000	1	105.8315	0.674	2	105.8315	0.674	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]O[5]H)(CC[6a]O)	105.2510	0.000	1	105.2510	0.000	1	105.8315	0.674	2	105.8315	0.674	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]O)	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	108.3507	11.628	3	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	108.3507	11.628	3	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){2|C<4>,4|H<1>}	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	108.3507	11.628	3	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:3:4:4:	4:3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO)	O(C[5]C[5,5]N[5]H)(CCO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO){1|O<1>,3|H<1>,5|C<3>}	O(C[5]C[5,5]N[5]H)(CCO)	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:4:4:2:	4:3:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	O(C[5]C[5,6a]C[5,5]H)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5,5]H)(CCO)	107.5735	4.242	2	107.5735	17.994	2	107.5735	17.994	2	107.5735	17.994	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:4:4:3:	4:3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H)	O(C[5]C[5,5]N[5]H)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	O(C[5]C[5,5]N[5]H)(CC[6a]O)	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:4:2:	4:3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	O(C[5]C[5,5]C[5]H)(CC[5a]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H){1|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5a]O)	114.0730	0.000	1	114.0730	0.000	1	114.0730	0.000	1	112.5075	4.902	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:4:2:	4:3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H)	C[5,5](C[5]C[5]CC)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]CC)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,5]C[5]H)(CCO)	110.9420	0.000	1	110.9420	0.000	1	110.9420	0.000	1	112.5075	4.902	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	2:4:4:4:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	O[5]-2:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H)	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO){1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	108.4540	0.797	3	108.4540	0.635	3	108.4540	0.635	3	108.4540	0.635	3	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:2:4:2:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	O(C[5]C[5,5]C[5]H)(COO)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	O(C[5]C[5,5]C[5]H)(COO)	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:3:4:4:	4:3:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	O(C[5]C[5,5]C[5,6]H)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	O(C[5]C[5,5]C[5,6]H)(CCO)	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	106.8765	1.445	2	106.8765	2.087	2	106.8765	2.087	2	106.8765	2.087	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H)	O(C[5]C[5,5]2H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]C[5,5]HO)(C[5]O[5]HH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]2H)(CCO)	115.6350	0.000	1	115.6350	0.000	1	115.6350	0.000	1	109.1072	16.997	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	O(C[5]C[5,5]C[5]H)(CCO)	105.2890	0.000	1	105.2890	0.000	1	105.2890	0.000	1	109.1072	16.997	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	110.1150	0.000	1	110.8780	1.164	2	110.8780	1.164	2	109.1072	16.997	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	111.6410	0.000	1	110.8780	1.164	2	110.8780	1.164	2	109.1072	16.997	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O(C[5]C[5,5]C[5]H)(CCO)	105.9815	0.906	2	105.9815	0.820	2	105.9815	0.820	2	109.1072	16.997	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5,5]C[5]H)(CCO)	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:3:4:	4:3:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	O(C[5]C[5,3x6]C[5,5]H)(CCO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	O(C[5]C[5,3x6]C[5,5]H)(CCO)	107.9955	0.162	2	107.9955	0.026	2	107.9955	0.026	2	107.9955	0.026	2	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5])(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	115.4990	0.000	1	115.4990	0.000	1	115.4990	0.000	1	115.4990	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]2H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|H<1>,1|N<2>,3|C<4>}	O(C[5]C[5,5]2H)(CCO)	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	114.1990	0.000	1	114.1990	0.000	1	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	113.2740	0.000	2	113.2740	0.000	2	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CCO)	108.7390	0.304	2	108.7390	0.092	2	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5]O)	108.7200	0.779	4	108.7200	0.607	4	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	106.3090	0.000	1	106.3090	0.000	1	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	107.6960	1.007	2	107.6960	1.014	2	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CCH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CCH)	108.7390	0.000	1	108.7390	0.000	1	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	109.9100	0.000	1	109.9100	0.000	1	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	112.2140	0.000	1	109.0440	16.687	3	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	107.4590	4.278	2	109.0440	16.687	3	109.4463	6.780	17	109.4386	6.382	18	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:2:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:C-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H){1|H<1>,5|C<4>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	109.3420	0.000	1	109.3420	0.000	1	109.3420	0.000	1	109.3420	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,5]C[5]H)(CCO)	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HO)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[5]C[5,5]C[5]H)(CNO)	113.3790	0.000	1	113.3790	0.000	1	112.3447	2.703	6	112.3447	2.703	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CCC)	111.1750	0.000	1	111.1750	0.000	1	112.3447	2.703	6	112.3447	2.703	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,7|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	111.9635	3.201	2	111.9635	10.247	2	112.3447	2.703	6	112.3447	2.703	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|H<1>}	O(C[5]C[5,5]C[5]H)(CNO)	112.7935	0.371	2	112.7935	0.138	2	112.3447	2.703	6	112.3447	2.703	6	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO){8|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	107.2340	0.000	1	107.2340	0.000	1	106.5986	0.668	5	106.5986	0.668	5	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO)	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO){8|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	105.8860	0.741	2	105.8860	0.549	2	106.5986	0.668	5	106.5986	0.668	5	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO)	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HN)(C[5]C[5]HO){8|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	106.9935	0.626	2	106.9935	0.392	2	106.5986	0.668	5	106.5986	0.668	5	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:2:4:	4:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:C-4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){2|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H)	O(C[5]C[5,5]C[5]C)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]C)(CCO)	105.6770	0.000	1	105.6770	0.000	1	105.6770	0.000	1	105.6770	0.000	1	109.5227	9.362	67	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:2:2:1:	3:4:4:4:	4:3:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	O(C[5]C[5,6,6]O[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	O(C[5]C[5,6,6]O[5]H)(CCO)	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:2:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5]-4:C[6]-4:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H)	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6,6]O[5]H)(CCO)	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5,6,6]O[5]H)(CCO)	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:3:	4:3:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	110.1200	0.000	1	110.1200	0.000	1	110.5175	0.316	2	110.5175	0.316	2	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:3:	4:3:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5,6,6]C[5]H)(CCO)	110.9150	0.000	1	110.9150	0.000	1	110.5175	0.316	2	110.5175	0.316	2	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH){1|C<3>,3|O<2>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	108.5430	0.000	1	108.5430	0.000	1	109.2040	0.874	2	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|N<3>,1|O<2>,2|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	109.8650	0.000	1	109.8650	0.000	1	109.2040	0.874	2	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(CSS)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6,6]C[5]H)(CSS)	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	107.8810	0.000	1	107.8810	0.000	1	108.7190	1.404	2	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	109.5570	0.000	1	109.5570	0.000	1	108.7190	1.404	2	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	110.0148	0.414	4	110.0148	0.172	4	110.0148	0.172	4	109.6740	1.236	11	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2813	0.519	3	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	110.0290	0.000	1	110.0290	0.000	1	109.3105	1.032	2	109.2813	0.519	3	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	108.5920	0.000	1	108.5920	0.000	1	109.3105	1.032	2	109.2813	0.519	3	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:C-3:	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	109.6911	2.348	20	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:2:2:1:	3:4:4:4:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(CCO)	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:3:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[5]C[5,6]O[5]H)(CCO)	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:4:4:1:	4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5]-4:C-3:	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br)	O(C[5]C[5,6a]C[5,6]H)(CCO)	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6]H)(CCO)	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:3:2:	3:4:4:1:	4:3:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(CC[6a]O)	116.1000	0.000	1	116.1000	0.000	1	116.1000	0.000	1	116.1000	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:3:3:2:	3:4:4:4:	4:3:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	115.5375	0.086	2	115.5375	0.007	2	115.5375	0.007	2	115.5375	0.007	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:2:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:3:4:3:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:3:2:	4:3:	C[5,5]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	O(C[5]C[5,5]C[5,6]H)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[5]C[5,5]C[5,6]H)(CCO)	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	106.5510	0.754	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:3:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	105.9370	0.000	1	105.9370	0.000	1	105.9370	0.000	1	106.5510	0.754	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	110.3240	0.000	1	110.6115	0.165	2	110.6115	0.165	2	110.6115	0.165	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	110.8990	0.000	1	110.6115	0.165	2	110.6115	0.165	2	110.6115	0.165	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	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>}	O(C[5]C[5,6]C[5]H)(CCO)	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	105.9320	0.000	1	105.9320	0.000	1	105.9320	0.000	1	105.9320	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:3:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	107.9060	1.609	5	107.9060	2.590	5	107.9060	2.590	5	107.9060	2.590	5	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	111.5497	25.805	3	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:C-3:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	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>}	O(C[5]C[5,6]C[5]H)(CCO)	109.7935	5.754	2	109.7935	33.105	2	109.7935	33.105	2	111.5497	25.805	3	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	108.6850	2.247	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	O(C[5]C[5,6]C[5]H)(CN[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CN[5]O)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	108.6850	2.247	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[3,5]C[5,6]H)(CCO)	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	109.7265	1.757	2	109.7265	3.088	2	110.4110	12.797	14	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	113.0837	1.542	4	113.0837	2.377	4	110.4110	12.797	14	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	115.6770	0.000	1	110.1777	11.188	7	110.4110	12.797	14	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	113.4810	0.000	1	110.1777	11.188	7	110.4110	12.797	14	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	111.2720	0.000	1	110.1777	11.188	7	110.4110	12.797	14	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	107.7035	0.312	4	110.1777	11.188	7	110.4110	12.797	14	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	102.7220	0.000	1	102.7220	0.000	1	110.4110	12.797	14	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	117.3260	0.000	1	117.3260	0.000	1	115.8990	1.543	3	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CNO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CNO)	115.1855	0.179	2	115.1855	0.032	2	115.8990	1.543	3	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	111.3779	14.011	23	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H){1|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	O(C[5]C[3,5]C[5,6]H)(CCO)	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	108.7465	0.833	4	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	109.9990	0.000	1	109.9990	0.000	1	108.8083	1.227	3	108.7465	0.833	4	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]H)(CC[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CC[5]O)	107.8080	0.000	1	107.8080	0.000	1	108.8083	1.227	3	108.7465	0.833	4	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,6]C[5]H)(CCO)	108.6180	0.000	1	108.6180	0.000	1	108.8083	1.227	3	108.7465	0.833	4	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	114.5740	0.000	1	114.5740	0.000	1	113.7680	1.299	2	113.7680	1.299	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	112.9620	0.000	1	112.9620	0.000	1	113.7680	1.299	2	113.7680	1.299	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	111.2120	1.079	2	110.7442	1.212	4	110.0890	3.056	5	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	109.3830	0.000	1	110.7442	1.212	4	110.0890	3.056	5	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<4>,8|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	111.1700	0.000	1	110.7442	1.212	4	110.0890	3.056	5	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	107.4680	0.000	1	107.4680	0.000	1	110.0890	3.056	5	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	113.8166	2.384	5	113.8166	5.682	5	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	110.9050	0.000	1	110.9050	0.000	1	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	114.4560	0.000	2	114.4560	0.000	2	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	108.8770	0.000	1	108.8770	0.000	1	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CCH)	111.0330	0.000	1	111.0330	0.000	1	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	114.7270	0.000	1	111.6452	6.325	12	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	111.3651	2.433	11	111.6452	6.325	12	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6]O)	110.7440	0.000	1	110.7440	0.000	1	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	110.1675	2.191	4	110.1675	4.800	4	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CN[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CN[5a]O)	112.4925	2.842	2	110.8846	4.394	5	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CN[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CN[5a]O)	109.8127	0.664	3	110.8846	4.394	5	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	112.1290	0.000	1	112.1290	0.000	1	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	107.8230	0.000	1	107.8230	0.000	1	111.5983	6.044	34	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H){1|H<1>,2|C<3>,2|C<4>,4|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	O(C[5]C[5,6]C[5]H)(CCO)	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:C-3:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	111.5006	5.708	42	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	107.0525	0.948	2	107.0525	0.899	2	107.0525	0.899	2	107.0525	0.899	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	105.1060	0.000	1	105.1060	0.000	1	104.7625	0.748	13	104.7625	0.748	13	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	103.4550	0.000	1	104.6090	1.111	8	104.7625	0.748	13	104.7625	0.748	13	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	104.7739	1.021	7	104.6090	1.111	8	104.7625	0.748	13	104.7625	0.748	13	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CC[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(CC[5a]O)	104.4740	0.000	1	104.4740	0.000	1	104.7625	0.748	13	104.7625	0.748	13	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	105.5340	0.000	1	105.1537	0.172	3	104.7625	0.748	13	104.7625	0.748	13	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	104.9635	0.357	2	105.1537	0.172	3	104.7625	0.748	13	104.7625	0.748	13	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:2:4:2:	4:3:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH)	O(C[5]C[5,6]C[5]C)(CC[3]O)	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(CC[3]O)	105.6050	0.783	2	105.6050	0.614	2	105.6050	0.614	2	105.6050	0.614	2	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	110.8215	0.465	4	110.8215	0.216	4	110.8215	0.216	4	110.8215	0.216	4	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:3:	C[5,6]-4:C[3]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[3]C[5])(CNO)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3){1|S<2>,3|C<4>,8|H<1>}	O(C[5]C[5,6]C[3]C[5])(CNO)	106.0710	0.000	1	106.0710	0.000	1	106.0710	0.000	1	106.0710	0.000	1	110.1330	12.172	118	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:2:1:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:1:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	111.7910	0.503	2	111.7910	0.253	2	111.7910	0.253	2	111.7910	0.253	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:2:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CCO)	105.6053	0.405	3	105.6053	0.164	3	105.6053	0.164	3	105.6053	0.164	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:2:4:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(CCO)	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:3:4:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(CCO)	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CCO)	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	111.5770	1.458	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	O(C[5]C[5,6a]C[5]H)(CCO)	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	111.5770	1.458	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	111.5770	1.458	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5]-3:C[5]-4:O-2:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<3>}	O(C[5]C[5]2H)(CC[6a]O)	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	111.5770	1.458	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	109.3957	1.372	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	108.7805	0.688	2	108.7805	0.473	2	108.7805	0.473	2	109.3957	1.372	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:2:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	107.9170	0.000	1	107.9170	0.000	1	107.3760	0.585	2	107.3760	0.585	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:2:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	106.8350	0.000	1	106.8350	0.000	1	107.3760	0.585	2	107.3760	0.585	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:4:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(CCO)	110.8500	0.563	6	110.8500	0.317	6	110.9649	0.356	7	110.9649	0.356	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:4:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	111.6540	0.000	1	111.6540	0.000	1	110.9649	0.356	7	110.9649	0.356	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:2:2:	4:4:2:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	O(C[5]C[6a]C[5]O[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[6a]C[5]O[5])(CCO)	104.9440	0.000	1	104.9440	0.000	1	104.9440	0.000	1	104.9440	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2	O(C[5]C[6a]C[5]2)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(CCO)	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]O[5]HO)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]O[5]H)(CCO)	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:3:2:1:	4:3:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H)	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H){1|C<4>,1|N<3>}	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H){1|C<4>}	O(C[5]C[5]N[5]H)(CCO)	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H){1|H<1>,1|P<4>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]O)	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	107.3160	2.150	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(Br)(H){1|C<3>,1|H<1>}	O(C[5]C[5]O[5]H)(CCO)	104.8690	0.000	1	104.8690	0.000	1	104.8690	0.000	1	107.3160	2.150	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	O(C[5]C[5]O[5]H)(CCO)	107.4280	0.216	2	107.4280	0.047	2	107.8233	0.492	3	107.3160	2.150	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	O(C[5]C[5]O[5]H)(CCO)	108.6140	0.000	1	108.6140	0.000	1	107.8233	0.492	3	107.3160	2.150	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5]O[5]H)(CCO)	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	107.5056	5.303	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CCO)	105.8135	0.578	2	105.8135	0.334	2	105.8135	0.334	2	107.5056	5.303	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	107.5056	5.303	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:3:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]S[5]H)(CCO)	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	107.5056	5.303	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H)	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(C[5]O[5]HO)(NCH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]O)	112.6370	0.000	1	112.6370	0.000	1	107.7373	18.046	3	107.1895	13.231	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H)	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NCH)(H){2|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]O)	105.2875	0.285	2	105.2875	0.081	2	107.7373	18.046	3	107.1895	13.231	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:3:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]S[5]H)(CCO)	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	107.1895	13.231	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CC3)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5]O[5]H)(CCO)	109.4656	1.728	5	109.4656	2.985	5	109.4656	2.985	5	109.4656	2.985	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:4:	4:3:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>}	O(C[5]C[5]S[5]H)(CCO)	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:4:2:	3:4:1:1:	4:3:	C[5]-4:O[5]-2:P-4:O-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC)	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2	O(C[5]C[5]O[5]P)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2{2|C<3>}	O(C[5]C[5]O[5]P)(CCO)	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(CCO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5]O[5]C)(CCO)	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	111.9585	10.918	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(CCO)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{1|O<1>}	O(C[5]C[5]O[5]C)(CCO)	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	111.9585	10.918	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H){1|C<4>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O(C[5]C[5]2H)(CCO)	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:2:1:	4:3:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]H)(CCO)	109.7800	0.609	3	109.7800	0.371	3	109.7800	0.371	3	109.7800	0.371	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:2:3:	4:3:	C[5]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	O(C[5]C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[5]N[5]H)(CC[6a]O)	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:1:	3:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	114.5440	0.000	1	114.5440	0.000	1	114.5440	0.000	1	114.5440	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	O(C[5]C[5]2H)(CCO)	110.0440	0.846	2	110.0440	0.715	2	110.0440	0.715	2	110.0440	0.715	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:2:1:	4:3:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H)	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H){1|C<4>}	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H){1|C<4>,1|N<3>}	O(C[5]C[5]N[5]H)(CCO)	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.2640	0.000	1	107.2640	0.000	1	107.2300	0.002	2	107.2300	0.002	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	107.1960	0.000	1	107.1960	0.000	1	107.2300	0.002	2	107.2300	0.002	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|O<1>}	O(C[5]C[5]2H)(CCO)	111.9265	1.477	2	114.1280	7.435	4	113.9017	5.615	6	113.9017	5.615	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]2H)(CCO)	116.3295	0.858	2	114.1280	7.435	4	113.9017	5.615	6	113.9017	5.615	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){1|O<1>}	O(C[5]C[5]2H)(CCO)	113.4490	2.271	2	113.4490	5.158	2	113.9017	5.615	6	113.9017	5.615	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5]2H)(CCO)	111.8165	2.201	2	111.8165	4.845	2	111.8165	4.845	2	110.7363	5.923	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	110.7363	5.923	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[5a]O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5]2H)(CC[5a]O)	113.1630	0.000	1	113.1630	0.000	1	113.1630	0.000	1	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C-3:	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2{2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H){1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>}	O(C[5]C[5]2H)(CC[6a]O)	110.4470	0.000	1	110.4470	0.000	1	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CNO)	107.7220	0.000	1	107.7220	0.000	1	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.7680	0.000	2	107.7680	0.000	2	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	113.3910	0.000	1	113.3910	0.000	1	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	O(C[5]C[5]2H)(CC[6a]O)	113.3860	0.000	1	113.3860	0.000	1	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5]2H)(COO)	113.6150	0.000	1	113.6150	0.000	1	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|O<1>}	O(C[5]C[5]2H)(CC[6a]O)	111.1035	0.056	2	111.1035	0.003	2	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.9970	0.000	1	110.9970	0.000	1	110.7301	5.499	10	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H){1|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.6810	0.000	2	106.6810	0.000	2	106.6810	0.000	2	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	110.5010	6.555	15	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CCO)	110.6315	2.654	2	110.6315	7.043	2	110.6315	7.043	2	110.2756	4.223	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HO)2(OSi)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.8770	0.000	1	107.8770	0.000	1	110.0383	4.714	3	110.2756	4.223	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H){1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	O(C[5]C[5]2H)(CCO)	110.0190	0.000	1	110.0190	0.000	1	110.0383	4.714	3	110.2756	4.223	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	O(C[5]C[5]2H)(CCO)	112.2190	0.000	1	112.2190	0.000	1	110.0383	4.714	3	110.2756	4.223	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CCO)	106.3305	0.670	2	106.3305	0.448	2	109.0253	22.011	3	109.0253	22.011	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(CCO)	114.4150	0.000	1	114.4150	0.000	1	109.0253	22.011	3	109.0253	22.011	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:2:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	O(C[5]C[5]2H)(CCO)	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|O<1>}	O(C[5]C[5]2H)(CCO)	114.6730	0.000	1	114.6730	0.000	1	114.4245	1.185	6	114.4245	1.185	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	O(C[5]C[5]2H)(CCO)	114.4470	0.000	1	114.4470	0.000	1	114.4245	1.185	6	114.4245	1.185	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	O(C[5]C[5]2H)(CC[6]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	O(C[5]C[5]2H)(CC[6]O)	114.3730	2.042	2	114.3730	4.170	2	114.4245	1.185	6	114.4245	1.185	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	O(C[5]C[5]2H)(COO)	114.3405	1.293	2	114.3405	1.673	2	114.4245	1.185	6	114.4245	1.185	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:4:4:	4:3:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3)	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC){2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3){1|O<1>}	O(C[5]C[5]2C)(CC[6a]O)	117.3800	0.000	1	117.3800	0.000	1	117.3800	0.000	1	117.3800	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:3:2:	3:4:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	O(C[6a]C[6a]2)(C[5]C[5]3)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(C[5]C[5]3)	105.2185	0.202	2	105.2185	0.041	2	105.2185	0.041	2	105.2185	0.041	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:3:1:	4:3:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC)	C[5](C[5]N[5]CO)(N[5]C[5])(COO)(H)	O(C[5]C[5]N[5]C)(CCC)	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC){1|H<1>}	C[5](C[5]N[5]CO)(N[5]C[5])(COO)(H){1|H<1>,1|S<4>}	O(C[5]C[5]N[5]C)(CCC)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)2(OC[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(OC[6a])(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	108.7635	3.846	2	108.7635	14.791	2	108.7635	14.791	2	108.7635	14.791	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	111.1550	0.000	1	110.8615	0.172	2	110.8615	0.172	2	110.1524	5.809	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	110.5680	0.000	1	110.8615	0.172	2	110.8615	0.172	2	110.1524	5.809	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(COO)	107.1850	0.000	1	107.1850	0.000	1	107.8285	0.828	2	110.1524	5.809	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.4720	0.000	1	108.4720	0.000	1	107.8285	0.828	2	110.1524	5.809	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H)	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,2|C<3>}	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CCO)	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	110.1524	5.809	5	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(CCO)	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	112.2780	0.000	1	110.7175	4.870	2	110.6015	2.226	6	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.1570	0.000	1	110.7175	4.870	2	110.6015	2.226	6	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(CC[3]O)	110.0110	0.000	1	110.7250	1.020	2	110.6015	2.226	6	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CC[3]O)	111.4390	0.000	1	110.7250	1.020	2	110.6015	2.226	6	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	111.9540	0.000	1	111.9540	0.000	1	110.6015	2.226	6	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(CCO)	108.7700	0.000	1	108.7700	0.000	1	110.6015	2.226	6	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	107.6870	2.098	4	107.6870	4.401	4	108.0546	3.719	8	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.6520	0.000	1	110.6520	0.000	1	108.0546	3.719	8	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.9930	0.000	1	108.9930	0.000	1	108.0546	3.719	8	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	105.8970	0.000	1	105.8970	0.000	1	108.0546	3.719	8	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.1470	0.000	1	108.1470	0.000	1	108.0546	3.719	8	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.8530	1.259	2	106.8530	1.584	2	108.7593	5.653	9	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	110.4394	0.557	5	110.4394	0.310	5	108.7593	5.653	9	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.4655	3.239	2	106.4655	10.493	2	108.7593	5.653	9	108.9023	4.790	24	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	O(C[5]C[5,5]C[5]H)(COO)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	O(C[5]C[5,5]C[5]H)(COO)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	108.8841	3.341	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCC)(H){2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CCO)	108.6465	2.466	2	108.6465	6.080	2	108.6465	6.080	2	108.8841	3.341	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(CCO)	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	108.8841	3.341	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	O(C[5]C[5]2H)(CC[3]O)	110.1000	0.000	1	110.1000	0.000	1	109.9923	3.048	3	108.8841	3.341	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	O(C[5]C[5]2H)(CCO)	108.1950	0.000	1	108.1950	0.000	1	109.9923	3.048	3	108.8841	3.341	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	O(C[5]C[5]2H)(CC[3]O)	111.6820	0.000	1	111.6820	0.000	1	109.9923	3.048	3	108.8841	3.341	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.6615	0.235	2	108.6615	0.055	2	108.6615	0.055	2	108.6647	4.299	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	O(C[5]C[5]2H)(CCO)	106.1340	0.000	1	106.1340	0.000	1	106.1340	0.000	1	108.6647	4.299	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CCO)	111.2020	0.000	1	111.2020	0.000	1	111.2020	0.000	1	108.6647	4.299	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CNO)	105.8555	0.282	2	105.8555	0.080	2	107.3562	2.740	6	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	108.1260	0.000	1	108.1065	2.288	4	107.3562	2.740	6	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	108.4870	2.442	2	108.1065	2.288	4	107.3562	2.740	6	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	107.3260	0.000	1	108.1065	2.288	4	107.3562	2.740	6	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(CN[6]O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{4|H<1>}	O(C[5]C[5]2H)(CN[6]O)	108.0210	0.000	1	108.0210	0.000	1	108.7417	9.139	4	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.8630	0.000	1	106.8630	0.000	1	108.7417	9.139	4	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CCO)	113.2030	0.000	1	113.2030	0.000	1	108.7417	9.139	4	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]N[5])(H)2	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	C[5](C[5]C[5]HO)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	O(C[5]C[5]2H)(CC[3]O)	106.8800	0.000	1	106.8800	0.000	1	108.7417	9.139	4	108.0474	4.779	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6,6]C[5]H)(CCO)	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	107.4247	1.280	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	107.4247	1.280	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	106.9263	1.294	3	106.9263	1.674	3	106.9263	1.674	3	107.4247	1.280	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	107.4247	1.280	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	O(C[5]C[5]2H)(CCO)	113.9110	0.000	1	113.9110	0.000	1	112.7900	1.410	3	112.7900	1.410	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	112.2295	0.967	2	112.2295	0.934	2	112.7900	1.410	3	112.7900	1.410	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:N[6a]-3:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	O(C[5]C[5,5]C[5]H)(CCO)	110.4140	0.000	1	110.4140	0.000	1	109.9429	0.612	8	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	110.3050	0.000	1	110.3050	0.000	1	109.9429	0.612	8	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CCO)	109.5725	0.870	2	109.5725	0.758	2	109.9429	0.612	8	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(CCH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CCH)	108.8520	0.000	1	108.8520	0.000	1	109.9429	0.612	8	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	109.4370	0.000	1	109.4370	0.000	1	109.9429	0.612	8	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	O(C[5]C[5,5]C[5]H)(CCO)	110.6950	0.567	2	110.6950	0.322	2	109.9429	0.612	8	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.2280	0.000	1	107.2280	0.000	1	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	113.8360	0.000	1	113.8360	0.000	1	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.3255	2.361	2	108.3255	5.574	2	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.3918	2.615	12	108.3918	6.839	12	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.0578	1.680	6	108.7847	2.873	7	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.1460	0.000	1	108.7847	2.873	7	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	110.7500	4.100	2	110.7500	16.808	2	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	109.5240	0.000	1	109.5240	0.000	1	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]H)	107.6310	0.000	1	107.6310	0.000	1	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	107.2300	0.000	1	108.9861	3.449	15	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	111.0340	0.000	1	108.9861	3.449	15	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	108.9660	4.622	2	108.9861	3.449	15	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	108.9962	1.473	10	108.9861	3.449	15	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	108.6340	0.000	1	108.9861	3.449	15	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.8389	2.300	7	108.8389	5.292	7	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	108.6620	0.000	1	108.6620	0.000	1	108.8778	4.794	50	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]O)	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	108.9916	4.324	59	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	112.0985	4.207	2	112.0985	17.695	2	112.0985	17.695	2	112.0985	17.695	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H){2|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2{2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.2340	0.000	1	109.2340	0.000	1	110.1683	1.244	3	110.1683	1.244	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	109.8680	0.000	1	109.8680	0.000	1	110.1683	1.244	3	110.1683	1.244	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	O(C[5]C[5]2H)(CC[5,5,6]O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CC[5,5,6]O)	111.4030	0.000	1	111.4030	0.000	1	110.1683	1.244	3	110.1683	1.244	3	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	107.9803	3.055	3	107.9803	9.330	3	109.6008	9.508	8	109.6008	9.508	8	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	113.0430	0.000	1	113.0430	0.000	1	109.6008	9.508	8	109.6008	9.508	8	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	109.9555	3.037	4	109.9555	9.222	4	109.6008	9.508	8	109.6008	9.508	8	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2{1|C<4>,2|C<3>}	O(C[5]C[5,6]C[5]H)(CCO)	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6]C[5]H)(CCO)	109.0254	1.478	5	109.0254	2.183	5	109.0254	2.183	5	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CCO)	107.9800	2.872	2	107.9800	8.250	2	107.8286	3.718	7	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	109.3360	0.000	1	109.3360	0.000	1	107.8286	3.718	7	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	O(C[5]C[5]2H)(CC[5,5,6]O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{2|C<4>}	O(C[5]C[5]2H)(CC[5,5,6]O)	107.5560	0.000	1	107.5560	0.000	1	107.8286	3.718	7	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2	O(C[5]C[5]2H)(CC[5a]O)	C[5](C[5]C[5]HH)2(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2{3|H<1>}	O(C[5]C[5]2H)(CC[5a]O)	107.0580	3.237	2	107.0580	10.479	2	107.8286	3.718	7	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2H)(CC[3]O)	107.8320	0.000	1	107.8320	0.000	1	107.8286	3.718	7	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.5940	0.000	1	110.5940	0.000	1	110.1706	3.408	9	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CCO)	108.7135	1.592	2	109.4695	2.036	4	110.1706	3.408	9	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CCO)	110.2255	1.135	2	109.4695	2.036	4	110.1706	3.408	9	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	109.8520	2.752	2	109.8520	7.574	2	110.1706	3.408	9	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CNO)	111.6795	2.584	2	111.6795	6.680	2	110.1706	3.408	9	109.0393	3.941	22	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H){1|C<4>,1|O<2>}	O(C[5]C[5,6]C[5]H)(CCO)	109.1475	2.511	2	109.1475	6.305	2	109.1475	6.305	2	110.0573	7.200	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CCO)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	110.0573	7.200	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CCO)	113.4150	0.000	1	113.4150	0.000	1	113.4150	0.000	1	110.0573	7.200	4	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	106.6590	0.000	1	106.6590	0.000	1	106.6590	0.000	1	106.6590	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	113.9890	0.000	1	113.9890	0.000	1	113.4190	0.650	2	113.4190	0.650	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	112.8490	0.000	1	112.8490	0.000	1	113.4190	0.650	2	113.4190	0.650	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	110.3452	3.256	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[5]C[5]2H)(CCO)	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.3452	3.256	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[5]C[5]2H)(CCO)	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	110.3452	3.256	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	112.7810	0.000	1	112.7810	0.000	1	110.3960	4.624	3	110.3452	3.256	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	108.6050	0.000	1	108.6050	0.000	1	110.3960	4.624	3	110.3452	3.256	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	109.8020	0.000	1	109.8020	0.000	1	110.3960	4.624	3	110.3452	3.256	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	108.7660	0.000	1	108.7660	0.000	1	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	109.4510	0.000	1	109.4510	0.000	1	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	110.2250	0.000	1	110.9855	1.157	2	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	111.7460	0.000	1	110.9855	1.157	2	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	109.6657	2.318	3	109.6657	5.373	3	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	108.9586	2.848	12	108.9586	8.110	12	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	109.4555	2.864	2	109.4555	8.205	2	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	106.5500	1.124	2	106.5500	1.264	2	109.0739	6.017	23	109.0739	6.017	23	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2	O(C[5]C[3,5]C[5]H)(CC[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H){1|N<3>,2|H<1>}	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2{1|O<2>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CC[6a]O)	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	107.9868	0.585	4	107.9868	0.343	4	107.9868	0.343	4	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	105.3340	0.000	1	105.6650	0.219	2	105.6650	0.219	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	105.9960	0.000	1	105.6650	0.219	2	105.6650	0.219	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2	O(C[5]C[4,5]C[5]H)(CCO)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[4,5]C[5]H)(CCO)	108.1000	0.000	1	108.1000	0.000	1	108.9785	1.544	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2	O(C[5]C[4,5]C[5]H)(CNO)	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2{1|Si<4>,1|C<3>,2|C<4>}	O(C[5]C[4,5]C[5]H)(CNO)	109.8570	0.000	1	109.8570	0.000	1	108.9785	1.544	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){4|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{4|C<4>}	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	111.4555	1.863	2	111.4555	3.472	2	110.6177	3.842	3	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(CCO)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[5,5,6]C[5]H)(CCO)	108.9420	0.000	1	108.9420	0.000	1	110.6177	3.842	3	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2{3|H<1>,5|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	110.3830	0.362	3	110.3830	0.131	3	110.3830	0.131	3	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	108.0640	0.000	1	108.0640	0.000	1	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CCC)	109.2240	0.000	1	109.2240	0.000	1	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	108.1100	1.887	2	108.1100	3.559	2	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	108.2530	0.000	1	108.2530	0.000	1	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	114.5400	0.000	1	114.5400	0.000	1	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	109.7490	0.000	1	109.7490	0.000	1	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	109.6705	0.455	2	109.6705	0.207	2	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	109.6750	0.136	2	109.6750	0.018	2	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	115.3750	0.000	1	115.3750	0.000	1	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	111.9600	0.626	2	111.9600	0.392	2	110.2883	5.787	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5]C[5,6,6]C[5]H)(CCO)	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6,6]C[5]H)(CCO)	113.4740	0.000	1	113.4740	0.000	1	112.8020	0.903	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	112.1300	0.000	1	112.1300	0.000	1	112.8020	0.903	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	107.8045	0.887	4	107.8045	0.787	4	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	109.7350	0.000	1	109.7350	0.000	1	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	109.0980	0.000	1	109.0980	0.000	1	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CNO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CNO)	110.0750	0.000	1	110.3270	0.127	2	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CNO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CNO)	110.5790	0.000	1	110.3270	0.127	2	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[5]C[5,6]C[5]H)(CCO)	114.4310	0.000	1	114.4310	0.000	1	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CN[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CN[5]O)	105.1180	0.000	1	105.1180	0.000	1	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2{1|O<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	106.7080	0.000	1	106.7080	0.000	1	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	106.3310	0.000	1	106.9053	0.248	3	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	107.1620	0.000	1	106.9053	0.248	3	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	107.2230	0.000	1	106.9053	0.248	3	108.4056	5.447	14	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	112.7870	0.000	1	112.7870	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	111.0230	0.000	1	111.0230	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CCH)	113.1320	0.000	1	113.1320	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	111.1219	3.125	12	111.1219	9.765	12	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	108.1930	1.027	2	108.1930	1.054	2	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6]O)	112.2390	0.000	1	112.2390	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	109.4100	0.000	2	110.4772	5.977	9	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	106.2700	0.000	1	110.4772	5.977	9	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	111.5342	2.056	6	110.4772	5.977	9	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CN[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CN[5a]O)	112.5310	2.217	5	112.5310	4.916	5	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	110.1040	0.000	1	110.1040	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CC[5]O)	111.1310	0.000	1	111.1310	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	108.4780	0.000	1	108.4780	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	106.7840	0.000	1	106.7840	0.000	1	110.9021	6.856	36	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,2|C<3>}	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5,6]HH)2(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5,6]HH)2(OC)(H){4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,4|C<4>,5|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.2660	3.007	2	110.7572	6.557	4	110.7572	6.557	4	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5,6]HH)2(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5,6]HH)2(OC)(H){4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{4|C<4>,6|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	111.2485	3.109	2	110.7572	6.557	4	110.7572	6.557	4	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	O(C[5]C[5]2H)(COO)	115.2350	0.000	1	115.2350	0.000	1	112.9790	10.179	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.7230	0.000	1	110.7230	0.000	1	112.9790	10.179	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(COS)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(COS)	107.1550	0.000	1	107.1550	0.000	1	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(CCO)	111.3920	0.000	1	111.6110	0.992	4	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(CCO)	112.3805	0.042	2	111.6110	0.992	4	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(CCO)	110.2910	0.000	1	111.6110	0.992	4	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(CC[6a]O)	109.4430	0.000	1	109.4430	0.000	1	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	O(C[5]C[5]2H)(CCO)	112.3560	3.244	2	111.1258	4.892	5	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(CCO)	110.3057	1.414	3	111.1258	4.892	5	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.2880	0.000	1	110.2880	0.000	1	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5]C[5]2H)(CCO)	106.4115	0.383	2	106.4115	0.146	2	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(CCO)	107.5460	0.000	1	107.5460	0.000	1	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(CCO)	110.8130	0.000	1	110.8130	0.000	1	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[5]C[5]2H)(CCO)	109.3180	0.854	2	109.3180	0.730	2	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H){2|C<3>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[5]C[5]2H)(CC[6a]O)	109.5640	0.000	1	109.5640	0.000	1	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{2|H<1>,4|C<4>}	O(C[5]C[5]2H)(CCO)	107.8470	0.000	1	107.8470	0.000	1	109.8094	4.531	20	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HH)(Cl)(H){2|H<1>,2|O<1>}	O(C[5]C[5]2H)(CCO)	107.6020	0.000	2	107.6020	0.000	2	107.6020	0.000	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	112.4390	0.000	1	112.4390	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	O(C[5]C[5]2H)(CCO)	109.3830	0.000	1	109.3830	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.4775	0.474	2	110.4403	0.117	3	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.3660	0.000	1	110.4403	0.117	3	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	O(C[5]C[5]2H)(CCO)	111.5785	1.098	2	111.5785	1.206	2	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	111.7560	0.000	1	107.8885	29.915	2	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	104.0210	0.000	1	107.8885	29.915	2	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.5020	0.000	1	109.5020	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	105.7740	0.000	1	105.7740	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	114.1150	0.000	1	110.2935	29.208	2	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	106.4720	0.000	1	110.2935	29.208	2	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]C)	111.3540	0.000	1	111.3540	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	111.4520	0.000	1	111.4520	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(H)2{2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	107.9060	0.000	1	107.9060	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	107.1395	0.103	2	107.1395	0.011	2	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	105.5667	0.378	4	105.5667	0.143	4	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<4>}	O(C[5]C[5]2H)(CCO)	114.0110	0.000	1	114.0110	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.7870	0.000	1	107.7870	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	111.5300	0.000	1	111.5300	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CC[6a]O)	108.2905	3.955	4	108.2905	15.643	4	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CCO)	108.5853	1.782	12	108.5853	3.175	12	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CC[6a]O)	108.3910	0.000	1	108.3910	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	O(C[5]C[5]2H)(CN[6]O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{2|H<1>}	O(C[5]C[5]2H)(CN[6]O)	107.1790	0.000	1	107.1790	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H){1|O<2>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.4460	0.000	1	108.4460	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H){1|O<2>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	105.1070	0.000	1	105.1070	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)2(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	O(C[5]C[5]2H)(CCO)	107.3148	1.611	4	107.3148	2.596	4	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	105.4040	0.000	1	105.4040	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HH)2(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	O(C[5]C[5]2H)(CNO)	106.9655	2.918	8	106.9655	8.515	8	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.9690	0.000	1	109.9690	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.7790	0.040	2	107.7790	0.002	2	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	O(C[5]C[5]2H)(CC[3]O)	104.8260	0.000	1	104.8260	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2H)(CC[3]O)	107.5380	0.000	1	107.5380	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.7800	0.000	1	107.7800	0.000	1	108.2796	6.832	64	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C-3:	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	O(C[5]C[5]2H)(CCO)	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.0130	0.424	4	110.0130	0.180	4	110.0130	0.180	4	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|Cl<1>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.2140	0.000	2	108.2140	0.000	2	108.2140	0.000	2	109.4122	6.923	183	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	112.8510	0.000	1	112.8510	0.000	1	111.4143	6.119	6	111.4143	6.119	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	111.0470	3.055	4	111.0470	9.331	4	111.4143	6.119	6	111.4143	6.119	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	111.4470	0.000	1	111.4470	0.000	1	111.4143	6.119	6	111.4143	6.119	6	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H){1|N<2>,4|H<1>}	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[3,5]C[5]H)(CCO)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	106.3430	0.000	1	106.3430	0.000	1	106.3430	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)2(OC)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	109.5520	0.000	2	109.5520	0.000	2	109.4680	15.293	4	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CCO)	104.5960	0.000	1	104.5960	0.000	1	109.4680	15.293	4	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CCO)	114.1720	0.000	1	114.1720	0.000	1	109.4680	15.293	4	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CCO)	107.1115	0.213	2	107.1115	0.045	2	107.6742	1.282	6	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5]O)	107.9555	1.343	4	107.9555	1.804	4	107.6742	1.282	6	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	O(C[5]C[5,6,6]C[5]H)(CCO)	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	111.9030	0.000	1	111.9030	0.000	1	110.2430	5.511	2	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6]C[5]H)(CCO)	108.5830	0.000	1	108.5830	0.000	1	110.2430	5.511	2	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H){1|N<2>,4|H<1>}	O(C[5]C[5]2H)(CCO)	113.0630	0.000	1	113.0630	0.000	1	113.0630	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CCO)	106.3280	0.000	1	106.3280	0.000	1	110.0215	4.403	6	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	109.0250	0.000	1	109.0250	0.000	1	110.0215	4.403	6	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HO)2(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]O)	111.8800	0.000	2	111.8800	0.000	2	110.0215	4.403	6	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]HO)2(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]O)	110.5080	0.000	2	110.5080	0.000	2	110.0215	4.403	6	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CCO)	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CCO)	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	111.4670	6.261	2	111.4670	39.197	2	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.2630	1.114	2	106.2630	1.242	2	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.1645	0.319	2	108.1645	0.102	2	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	O(C[5]C[5]2H)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	O(C[5]C[5]2H)(CC[6a]C)	111.4210	0.000	1	111.4210	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	O(C[5]C[5]2H)(CCO)	109.1450	0.000	1	109.1450	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H){4|H<1>}	O(C[5]C[5]2H)(CCO)	106.8200	0.000	1	106.8200	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	107.0970	0.000	1	107.0970	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	111.5270	0.000	1	111.5270	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	113.8810	0.000	1	113.8810	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2H)(CCO)	110.2980	6.272	2	110.2980	39.338	2	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CCO)	108.7900	0.000	1	108.7900	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	102.2460	0.000	1	102.2460	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CNO)	107.4705	1.316	2	107.4705	1.732	2	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	O(C[5]C[5]2H)(CCO)	109.7310	0.000	1	109.7310	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CCO)	105.7390	0.000	1	105.7390	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CCO)	108.6707	2.345	4	108.6707	5.498	4	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CCO)	114.0590	2.242	3	114.0590	5.026	3	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]H)	114.6050	0.000	1	114.6050	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CCO)	108.7040	0.000	1	108.7040	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(CCO)	112.4460	0.000	1	111.3306	13.392	5	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CCO)	111.0517	4.164	4	111.3306	13.392	5	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(CC[6a]O)	110.7830	0.000	1	112.3627	1.999	3	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CC[6a]O)	113.1525	0.504	2	112.3627	1.999	3	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CCO)	109.1222	1.969	5	109.1222	3.878	5	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CC[6a]O)	112.1192	2.603	4	112.1192	6.777	4	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	O(C[5]C[5]2H)(CCO)	110.8810	3.429	4	110.8810	11.759	4	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.5320	0.000	1	109.5320	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	109.6653	1.239	3	109.6653	1.535	3	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.7740	0.000	1	110.7740	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]O)	108.4490	0.000	1	108.4490	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	106.9550	0.000	1	106.9550	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.3430	0.000	1	108.3430	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CCO)	115.7110	0.000	1	115.7110	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(CCO)	114.1080	0.000	1	114.1080	0.000	1	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CCO)	109.0350	0.000	1	111.6544	19.114	5	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CCO)	112.3093	4.757	4	111.6544	19.114	5	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CC[6a]O)	108.3170	0.000	1	107.2753	0.957	3	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CC[6a]O)	106.7545	0.535	2	107.2753	0.957	3	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CCO)	110.1640	2.097	5	110.1640	4.398	5	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CC[6a]O)	110.8700	2.773	4	110.8700	7.689	4	110.1625	10.019	77	109.9235	8.819	104	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	3:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H)	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NCH)(H){1|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[5]C[5]2H)	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H){1|H<1>,2|C<3>,2|C<4>,4|O<2>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|O<2>,7|C<4>}	O(C[5]C[5,6]C[5]H)(CCO)	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CCO)	107.9685	1.961	2	107.9685	3.845	2	107.9685	3.845	2	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.4140	0.000	1	108.4140	0.000	1	109.1216	6.286	16	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCC)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CNO)	109.8700	0.000	1	109.8700	0.000	1	109.1216	6.286	16	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.4610	0.000	1	109.4610	0.000	1	109.1216	6.286	16	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.3015	0.708	2	109.7312	6.386	11	109.1216	6.286	16	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.4933	2.080	9	109.7312	6.386	11	109.1216	6.286	16	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(CCO)	105.5790	0.255	2	105.5790	0.065	2	109.1216	6.286	16	109.0085	5.587	19	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C-3:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(CCO)	111.3450	0.274	2	111.3450	0.075	2	111.3450	0.075	2	111.3450	0.075	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]CH)2(ON)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(NC)	C[5](C[5]C[5]CH)2(ON)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(NC)	110.2020	0.000	1	110.2020	0.000	1	109.0205	2.792	2	109.0205	2.792	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-2:	C[5](C[5]C[5]CH)2(ON)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(NC)	C[5](C[5]C[5]CH)2(ON)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(NC)	107.8390	0.000	1	107.8390	0.000	1	109.0205	2.792	2	109.0205	2.792	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5,5]C[5]H)(CC[6a]O)	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]O)	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H){1|O<1>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.3445	0.865	2	108.3445	0.748	2	108.3445	0.748	2	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(CCO)	108.2760	0.000	1	108.4895	0.091	2	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	O(C[5]C[5]2H)(CCO)	108.7030	0.000	1	108.4895	0.091	2	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.0550	0.000	1	107.0550	0.000	1	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(CCO)	109.4420	0.123	2	109.4420	0.015	2	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	O(C[5]C[5]2H)(CCO)	108.8540	0.000	1	108.8540	0.000	1	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	105.9090	0.000	1	105.9090	0.000	1	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(COS)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(COS)	112.8990	0.000	1	112.8990	0.000	1	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	115.7800	0.000	1	115.7800	0.000	1	109.5956	9.044	9	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	108.0115	0.103	2	108.0115	0.011	2	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	110.6147	1.371	3	110.6147	1.880	3	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CCO)	109.2100	0.000	1	109.2100	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.0925	2.222	2	108.0925	4.939	2	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	104.9370	0.000	1	104.9370	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.6090	0.000	1	107.6090	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H){4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.9820	0.000	1	107.9820	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.7150	0.000	1	107.7150	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	107.2450	0.793	2	107.2450	0.629	2	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	108.1305	3.597	2	108.1305	12.939	2	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.7899	1.865	8	108.7899	3.479	8	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	109.5276	1.666	5	109.5276	2.777	5	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.1020	0.000	1	108.1020	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	108.3297	1.278	4	108.3297	1.633	4	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCO)	109.3800	0.000	1	109.3800	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	108.6649	1.048	10	109.2347	1.752	14	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(CCO)	110.6593	0.715	4	109.2347	1.752	14	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]O)	109.9788	0.535	5	108.8556	3.066	16	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5]2H)(CC[6a]O)	110.4545	0.977	2	108.8556	3.066	16	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]O)	107.8762	1.726	9	108.8556	3.066	16	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)2(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CCO)	107.0680	0.604	2	107.0680	0.365	2	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	106.2640	0.000	1	106.2640	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	O(C[5]C[5]2H)(CC[6a]O)	108.3730	0.000	1	108.3730	0.000	1	108.7067	2.751	69	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5]2H)(CCO)	106.7920	0.000	1	106.7920	0.000	1	109.6160	15.950	2	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5]2H)(CNO)	112.4400	0.000	1	112.4400	0.000	1	109.6160	15.950	2	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H){1|Si<4>,1|O<1>,2|C<4>,5|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	103.2650	0.000	1	103.2650	0.000	1	103.2650	0.000	1	108.7896	3.830	85	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H){1|O<2>,6|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){3|C<4>,4|O<2>}	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	113.3350	0.000	1	113.3350	0.000	1	113.3350	0.000	1	110.6098	6.300	10	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	112.6655	0.244	4	112.6655	0.060	4	112.0792	1.763	5	110.6098	6.300	10	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	109.7340	0.000	1	109.7340	0.000	1	112.0792	1.763	5	110.6098	6.300	10	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(CCO)	108.4530	0.000	1	108.4530	0.000	1	108.0918	2.022	4	110.6098	6.300	10	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CCO)	107.9713	1.716	3	107.9713	2.945	3	108.0918	2.022	4	110.6098	6.300	10	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:3:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO){1|S<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CCO)	108.8383	1.425	4	109.5262	3.285	6	109.1438	2.244	12	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CCO)	112.4270	0.000	1	109.5262	3.285	6	109.1438	2.244	12	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CCO)	109.3770	0.000	1	109.5262	3.285	6	109.1438	2.244	12	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	108.5620	0.990	4	108.7615	1.301	6	109.1438	2.244	12	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	110.4030	0.000	1	108.7615	1.301	6	109.1438	2.244	12	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[3,5]HO)2(CH3)2	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	107.9180	0.000	1	108.7615	1.301	6	109.1438	2.244	12	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CNO)	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	O(C[5]C[5,6,6]C[5]H)(CCO)	108.6935	0.819	4	108.6935	0.671	4	109.4642	3.473	5	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	O(C[5]C[5,6,6]C[5]H)(CSS)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	O(C[5]C[5,6,6]C[5]H)(CSS)	112.5470	0.000	1	112.5470	0.000	1	109.4642	3.473	5	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CCO)	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CCO)	107.2150	0.000	1	107.2150	0.000	1	108.8450	5.314	2	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2{4|H<1>}	O(C[5]C[5]2H)(CC[6a]O)	110.4750	0.000	1	110.4750	0.000	1	108.8450	5.314	2	109.2871	2.396	21	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:3:1:	4:3:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H)	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC){2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2C)(COO)	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:3:3:	4:3:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO)	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC){2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCH)(COO){1|C<3>,2|H<1>}	O(C[5]C[5]2C)(COO)	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(CCO)	113.9455	0.556	2	113.9455	0.310	2	113.9455	0.310	2	113.9455	0.310	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	105.2080	0.000	1	105.2080	0.000	1	105.2080	0.000	1	105.2080	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(CCO)	109.8277	0.051	3	109.8277	0.003	3	109.8277	0.003	3	110.8288	3.856	20	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	111.3975	0.493	2	110.5721	5.391	12	111.0055	4.358	17	110.8288	3.856	20	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	110.4070	2.526	10	110.5721	5.391	12	111.0055	4.358	17	110.8288	3.856	20	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	112.2783	0.518	3	112.2783	0.268	3	111.0055	4.358	17	110.8288	3.856	20	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	110.7440	0.000	1	110.7440	0.000	1	111.0055	4.358	17	110.8288	3.856	20	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC){2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	112.6490	0.000	1	112.6490	0.000	1	111.0055	4.358	17	110.8288	3.856	20	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CCO)	106.3315	1.778	2	106.3315	3.163	2	106.3315	3.163	2	106.3315	3.163	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(CCO)	109.0850	0.000	1	108.5071	0.695	9	108.8214	1.606	10	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(CCO)	108.4349	0.861	8	108.5071	0.695	9	108.8214	1.606	10	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	O(C[5]C[5,6]C[5]C)(CC[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(CC[5a]O)	111.6500	0.000	1	111.6500	0.000	1	108.8214	1.606	10	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	106.9337	1.332	3	108.7096	10.277	12	108.3899	9.370	14	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CCO)	109.3016	3.480	9	108.7096	10.277	12	108.3899	9.370	14	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CCO)	106.7720	0.000	1	106.7720	0.000	1	108.3899	9.370	14	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CCO)	106.1710	0.000	1	106.1710	0.000	1	108.3899	9.370	14	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-3:O-2:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC){2|C<4>,2|H<1>,3|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[5]C[5]2C)(CCO)	105.8760	0.000	1	105.8760	0.000	1	105.8760	0.000	1	108.4619	6.013	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:4:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CCO)	113.4880	1.096	2	113.4880	1.201	2	113.4880	1.201	2	113.4880	1.201	2	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	O(C[5]C[5]2Si)(CC[6a]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	O(C[5]C[5]2Si)(CC[6a]O)	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]C)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]C)(CCO)	113.5460	0.000	1	113.5460	0.000	1	113.5460	0.000	1	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[3]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC)	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[3]C[5])(CNO)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	O(C[5]C[5,6]C[3]C[5])(CNO)	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2C)(CCO)	103.7813	0.120	3	103.7813	0.014	3	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	109.7951	1.600	7	109.7951	2.560	7	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	112.5980	0.718	3	112.5980	0.515	3	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	109.9130	0.000	1	109.9130	0.000	1	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(CC[6a]O)	110.6730	0.000	1	110.9540	0.158	2	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	O(C[5]C[5]2C)(CC[6a]O)	111.2350	0.000	1	110.9540	0.158	2	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(COO)	109.4590	0.000	1	109.4590	0.000	1	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	104.8705	0.894	2	107.3367	18.646	3	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	112.2690	0.000	1	107.3367	18.646	3	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2C)(CCO)	106.4615	1.323	2	106.4615	1.750	2	108.8144	9.985	22	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2Si)(CC[6a]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2Si)(CC[6a]O)	101.1300	0.000	1	101.1300	0.000	1	101.1300	0.000	1	108.8491	12.737	25	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(CCO)	103.0825	0.400	4	103.0825	0.160	4	103.0825	0.160	4	104.1803	7.270	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	101.0540	0.000	1	101.0540	0.000	1	105.6440	15.947	3	104.1803	7.270	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	107.5570	0.000	1	107.5570	0.000	1	105.6440	15.947	3	104.1803	7.270	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5]2C)(CCO)	108.3210	0.000	1	108.3210	0.000	1	105.6440	15.947	3	104.1803	7.270	7	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H)	O(C[5]C[5,6]C[5]C)(CC[3]O)	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(CC[3]O)	109.6140	0.904	2	109.6140	0.817	2	109.6140	0.817	2	105.5887	5.551	9	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CCO)	104.4386	0.567	7	104.4386	0.321	7	104.4386	0.321	7	105.5887	5.551	9	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	O(C[5]C[5]2C)(CCO)	113.2625	0.610	4	113.2625	0.372	4	107.4739	21.648	11	107.4739	21.648	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CCO)	104.5150	0.000	1	104.7512	0.410	4	107.4739	21.648	11	107.4739	21.648	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CCO)	104.8300	0.760	3	104.7512	0.410	4	107.4739	21.648	11	107.4739	21.648	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	O(C[5]C[5]2C)(CC[6a]O)	103.3790	0.000	1	103.1835	0.076	2	107.4739	21.648	11	107.4739	21.648	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	O(C[5]C[5]2C)(CC[6a]O)	102.9880	0.000	1	103.1835	0.076	2	107.4739	21.648	11	107.4739	21.648	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	O(C[5]C[5]2C)(COO)	103.7910	0.000	1	103.7910	0.000	1	107.4739	21.648	11	107.4739	21.648	11	109.3700	7.610	842	109.7644	9.182	1327
474	474	893	0:SP3_SP3_SP3	C[3x5,6,6]	C[3x5,3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:O-2:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:H-1:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH)	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H)	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[3x5,3x6](C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]O)(H){1|O<1>,3|H<1>,5|C<4>}	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6,6]	C[3x5,6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:O-2:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:C-4:	C[3x5,6,6]-4:H-1:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH)	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH){3|C<4>,5|H<1>}	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	115.9770	0.000	1	115.9770	0.000	1	115.9770	0.000	1	115.9770	0.000	1	115.9770	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6,6]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:O-2:	C[3x5,6,6]-4:C[3x5,6,6]-4:C-4:H-1:	C[3x5,6,6]-4:H-1:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H)	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	114.2730	0.000	1	114.2730	0.000	1	114.2730	0.000	1	114.2730	0.000	1	114.2730	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[3x5,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){1|C<3>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	114.7930	0.000	1	114.8820	0.016	2	114.8820	0.016	2	114.8820	0.016	2	114.8820	0.016	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[3x5,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:C[3x5,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H)	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){4|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[3x5,6]C[4,5,5,6]O[5,5]O)(C[3x5,6,6]C[3x5,6]2H)(H){3|C<4>,5|H<1>}	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	114.9710	0.000	1	114.8820	0.016	2	114.8820	0.016	2	114.8820	0.016	2	114.8820	0.016	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH)	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H)	O(C[3x5,6]C[5,5,3x6]C[3x5,6]C[5,5,6])(H)	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH){6|C<4>,6|O<2>}	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H){5|C<4>,5|O<2>}	O(C[3x5,6]C[5,5,3x6]C[3x5,6]C[5,5,6])(H)	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,3x6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,3x6]-4:O-2:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH)	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH)	O(C[3x5,6]C[5,5,3x6]C[3x5,6]C[5,5,6])(H)	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH){6|C<4>,6|O<2>}	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH){3|H<1>,3|O<2>,4|C<4>}	O(C[3x5,6]C[5,5,3x6]C[3x5,6]C[5,5,6])(H)	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	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)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|O<2>,4|H<1>,5|C<4>}	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>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	115.0090	0.000	1	115.0090	0.000	1	116.4010	3.605	3	116.4010	3.605	3	116.4010	3.605	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	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)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){2|H<1>,5|C<4>,5|O<2>}	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>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	118.5640	0.000	1	117.0970	4.304	2	116.4010	3.605	3	116.4010	3.605	3	116.4010	3.605	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	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)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|H<1>,4|O<2>,5|C<4>}	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>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	115.6300	0.000	1	117.0970	4.304	2	116.4010	3.605	3	116.4010	3.605	3	116.4010	3.605	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,4|H<1>}	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	117.7460	0.000	1	117.7460	0.000	1	117.7460	0.000	1	117.3405	0.329	2	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[3x5,6]-4:C[5]-4:O[5,6]-2:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H)	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	117.3405	0.329	2	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH)	O(C[3x5,6]C[5,5,3x6]C[3x5,6]C[5,5,6])(H)	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH){6|C<4>,6|O<2>}	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH){1|O<2>,4|C<4>,5|H<1>}	O(C[3x5,6]C[5,5,3x6]C[3x5,6]C[5,5,6])(H)	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	112.6910	1.905	4	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){2|H<1>,5|C<4>,5|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	113.9000	0.000	1	112.9720	2.383	3	112.9720	2.383	3	112.6910	1.905	4	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|H<1>,4|O<2>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	111.1900	0.000	1	112.9720	2.383	3	112.9720	2.383	3	112.6910	1.905	4	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	113.8260	0.000	1	112.9720	2.383	3	112.9720	2.383	3	112.6910	1.905	4	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	114.0300	0.000	1	114.0300	0.000	1	113.5670	8.173	3	113.5670	8.173	3	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|H<1>,4|O<2>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3){2|O<2>,3|C<4>,3|H<1>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	116.1660	0.000	1	116.1660	0.000	1	113.5670	8.173	3	113.5670	8.173	3	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3)	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){2|H<1>,5|C<4>,5|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	110.5050	0.000	1	110.5050	0.000	1	113.5670	8.173	3	113.5670	8.173	3	114.0162	6.515	9	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5,6]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:C[3x5,6]-4:O-2:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H)	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[4x5]	O	4:4:4:2:	4:4:4:4:	4:4:	C[4x5]-4:C[5,5]-4:C[5,5]-4:O-2:	C[3x5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[3x5]-4:C-4:	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC)	C[4x5](C[3x5]C[5,5]2O)(C[5,5]C[5]2H)2(C[5,5]O[5]2H)	O(C[3x5]C[4x5]C[5,5]2)(CH3)	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC){2|C<4>,2|O<2>,9|H<1>}	C[4x5](C[3x5]C[5,5]2O)(C[5,5]C[5]2H)2(C[5,5]O[5]2H){10|H<1>,2|C<3>}	O(C[3x5]C[4x5]C[5,5]2)(CH3)	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[3x5]-4:H-1:	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	111.1090	0.000	1	110.9320	0.063	2	110.9320	0.063	2	110.9320	0.063	2	112.6520	8.907	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[3x5]-4:H-1:	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	110.7550	0.000	1	110.9320	0.063	2	110.9320	0.063	2	110.9320	0.063	2	112.6520	8.907	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5,6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O-2:	C[5,6]-4:C[3x5]-4:C[6]-3:O[5]-2:	C[3x5]-4:H-1:	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH)	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5])	O(C[3x5]C[5,5,6]C[5,5]2)(H)	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O(C[3x5]C[5,5,6]C[5,5]2)(H)	116.0920	0.000	1	116.0920	0.000	1	116.0920	0.000	1	116.0920	0.000	1	112.6520	8.907	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:3:3:2:	3:4:3:4:	4:1:	C[5,5]-4:N[5,5]-3:N[5,5]-3:O-2:	C[5,6a]-3:C[3x5]-4:N[5]-3:C-4:	C[3x5]-4:H-1:	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3)	O(C[3x5]C[5,5]N[5,5]2)(H)	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[3x5]C[5,5]N[5,5]2)(H)	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:3:2:	4:2:4:2:	4:1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[3x5]-4:H-1:	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH)	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	114.8700	0.000	1	114.8700	0.000	1	114.9455	0.011	2	114.9455	0.011	2	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:3:2:	4:2:4:2:	4:1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[3x5]-4:H-1:	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	115.0210	0.000	1	115.0210	0.000	1	114.9455	0.011	2	114.9455	0.011	2	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:H-1:	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H)	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|Br<1>,1|C<3>,2|O<1>,4|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]BrC)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	O(C[3x5]C[5,5]2N[5,5])(H)	114.1547	0.422	3	114.1547	0.178	3	114.3330	0.121	6	114.3330	0.121	6	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[3x5]-4:H-1:	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|C<3>,1|O<2>,2|O<1>,4|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	O(C[3x5]C[5,5]2N[5,5])(H)	114.5113	0.172	3	114.5113	0.030	3	114.3330	0.121	6	114.3330	0.121	6	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:H-1:	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H)	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|Br<1>,1|C<3>,2|O<1>,4|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[3x5]C[5,5]2N[5,5])(H)	117.8147	0.744	3	117.9648	0.249	6	117.9648	0.249	6	117.9648	0.249	6	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:H-1:	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H)	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|C<3>,1|O<2>,2|O<1>,4|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[3x5]C[5,5]2N[5,5])(H)	118.1150	0.021	3	117.9648	0.249	6	117.9648	0.249	6	117.9648	0.249	6	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:4:2:	4:2:2:1:	4:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O-2:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[3x5]-4:H-1:	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H)	O(C[3x5]C[5,5,6]C[5,5]2)(H)	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[3x5]C[5,5,6]C[5,5]2)(H)	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:4:2:	4:4:3:1:	4:4:	C[4x5]-4:C[5,5]-4:C[5,5]-4:O-2:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[3x5]-4:C-4:	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC)	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H)	O(C[3x5]C[4x5]C[5,5]2)(CH3)	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC){2|C<4>,2|O<2>,9|H<1>}	C[5,5](C[3x5]C[4x5]C[5,5]O)(C[5]C[5,5]HH)(C[5]C[5]H)(H){3|H<1>,4|C<4>}	O(C[3x5]C[4x5]C[5,5]2)(CH3)	114.6160	0.564	2	114.6160	0.318	2	114.6160	0.318	2	114.6160	0.318	2	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[3x5]	C[5,5]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O-2:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[3x5]-4:H-1:	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH)	O(C[3x5]C[5,5,6]C[5,5]2)(H)	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[3x5]C[5,5,6]C[5,5]2)(H)	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	115.4911	3.534	19	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6,6]	O	4:4:2:2:	4:3:4:4:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH){1|Sn<4>,4|C<3>,5|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	115.7390	0.000	1	115.7390	0.000	1	115.5667	0.022	3	115.5667	0.022	3	115.5283	0.148	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6,6]	O	4:4:2:2:	4:3:4:4:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,3|C<3>,6|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	115.4800	0.000	1	115.4805	0.000	2	115.5667	0.022	3	115.5667	0.022	3	115.5283	0.148	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6,6]	O	4:4:2:2:	4:3:4:4:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,1|C<4>,2|C<3>,7|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	115.4810	0.000	1	115.4805	0.000	2	115.5667	0.022	3	115.5667	0.022	3	115.5283	0.148	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<3>,6|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	116.0800	0.000	1	115.7805	0.179	2	115.7805	0.179	2	115.7805	0.179	2	115.5283	0.148	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<4>,5|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<4>,7|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	115.4810	0.000	1	115.7805	0.179	2	115.7805	0.179	2	115.7805	0.179	2	115.5283	0.148	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6,6]-4:C[4x5]-4:C[6]-4:C[5,6]-3:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H){1|Sn<4>,2|C<3>,5|H<1>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	115.5283	0.148	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	120.6490	0.345	2	120.6043	0.066	3	120.6043	0.066	3	120.7765	0.064	6	120.7765	0.064	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	120.5150	0.000	1	120.6043	0.066	3	120.6043	0.066	3	120.7765	0.064	6	120.7765	0.064	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	120.9565	0.093	2	120.9487	0.004	3	120.9487	0.004	3	120.7765	0.064	6	120.7765	0.064	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[4x5]	C[3x5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[4x5]-4:H-1:	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<4>,5|H<1>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	120.9330	0.000	1	120.9487	0.004	3	120.9487	0.004	3	120.7765	0.064	6	120.7765	0.064	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[3x5,6,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:O-2:	C[3x5,6,6]-4:C[5,3x6]-4:C[5,5]-4:C[5]-3:	C[5,3x6]-4:H-1:	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH)	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]O)(C[5,5]O[5]2C)(C[5]C[5]O)	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH){1|O<1>,2|C<3>,3|C<4>,4|O<2>}	C[3x5,6,6](C[3x5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]C[6,6]O)(C[5,5]O[5]2C)(C[5]C[5]O){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	113.3740	1.954	4	113.3740	3.819	4	113.3740	3.819	4	113.3740	3.819	4	111.8240	4.427	8	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,3x6]	O	4:4:4:2:	4:4:3:1:	4:4:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C-4:	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|C<4>,5|H<1>}	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	110.2740	0.322	4	110.2740	0.104	4	110.2740	0.104	4	110.2740	0.104	4	111.8240	4.427	8	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,3x6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	110.8580	0.000	1	109.5155	3.605	2	109.5155	3.605	2	109.8593	2.157	3	110.2607	2.176	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,3x6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]C[6,6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	108.1730	0.000	1	109.5155	3.605	2	109.5155	3.605	2	109.8593	2.157	3	110.2607	2.176	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,3x6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	109.8593	2.157	3	110.2607	2.176	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,3x6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,3x6]-4:O-2:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH)	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH){3|H<1>,3|O<2>,4|C<4>}	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	110.2607	2.176	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH)	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	111.5640	0.847	2	111.5640	0.718	2	111.5640	0.718	2	111.5640	0.718	2	110.2607	2.176	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:2:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	115.0140	0.000	1	115.0140	0.000	1	115.0140	0.000	1	115.0140	0.000	1	110.9305	6.854	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	110.9305	6.854	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:3:	4:4:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6]-4:O-2:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:C[6a]-3:	C[5,3x6]-4:C-4:	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,7|H<1>}	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	108.7573	0.136	3	108.7573	0.019	3	108.7573	0.019	3	108.7573	0.019	3	110.9305	6.854	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	C[3x5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3)	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3){4|C<4>,4|H<1>,5|O<2>}	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	110.9305	6.854	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,5x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	110.9785	0.786	2	110.9785	0.617	2	110.9785	0.617	2	110.9785	0.617	2	110.9785	0.617	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	O(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])(H)	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	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)	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	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>}	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	110.1068	1.991	4	110.1068	3.966	4	110.1068	3.966	4	109.8242	3.373	5	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	109.8242	3.373	5	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:3:2:	4:4:2:4:	4:1:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3)	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH){1|O<1>,2|C<3>,3|C<4>,4|O<2>}	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:3:2:	4:4:3:2:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	112.8730	0.000	1	108.5587	14.011	3	108.5587	14.011	3	108.5587	14.011	3	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	106.1770	0.000	1	108.5587	14.011	3	108.5587	14.011	3	108.5587	14.011	3	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	106.6260	0.000	1	108.5587	14.011	3	108.5587	14.011	3	108.5587	14.011	3	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:4:2:	4:3:4:4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH)	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5]){2|C<4>,2|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH){1|H<1>,2|C<3>,5|C<4>}	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,3x6]-4:C[5]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5]){2|C<4>,2|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	102.9550	0.000	1	102.9550	0.000	1	102.9550	0.000	1	102.9550	0.000	1	109.0976	9.524	13	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,3x6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6]-4:C-4:	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	117.3810	0.348	4	117.3810	0.121	4	117.3810	0.121	4	117.3810	0.121	4	117.3810	0.121	4	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,3x6]	C[3x5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,3x6]-4:O-2:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,5,6]-4:O-2:	C[5,5,3x6]-4:H-1:	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH)	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH)	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH){3|H<1>,3|O<2>,4|C<4>}	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH){6|C<4>,6|O<2>}	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,3x6]	C[5,3x6]	O	4:4:4:2:	4:4:3:3:	4:1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-2:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,3x6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH){1|C<3>,3|C<4>,3|O<1>,8|H<1>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	111.1875	0.128	2	111.1875	0.016	2	111.1875	0.016	2	111.1875	0.016	2	112.1160	2.595	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,3x6]	C[5,3x6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,3x6]-4:O-2:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	C[5,5,3x6]-4:H-1:	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	112.1160	2.595	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,3x6]	C[5,5,6,6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-2:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[5,5,3x6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH){1|C<3>,3|C<4>,3|O<1>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	106.9480	0.724	2	106.9480	0.524	2	106.9480	0.524	2	106.9480	0.524	2	108.8240	10.820	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,3x6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,3x6]-4:O-2:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,6]-2:C-4:	C[5,5,3x6]-4:H-1:	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH)	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3)	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH){3|H<1>,3|O<2>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3){1|H<1>,2|O<2>,4|C<4>}	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	108.8240	10.820	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,3x6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-2:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,5,3x6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH){1|C<3>,3|C<4>,3|O<1>,8|H<1>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	111.7785	0.479	2	111.7785	0.229	2	111.7785	0.229	2	111.7785	0.229	2	111.7785	0.229	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,3x6]	O	4:4:4:2:	4:4:2:2:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){10|H<1>,4|C<4>}	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	111.9010	0.000	2	112.7947	4.203	4	112.7947	4.203	4	112.7947	4.203	4	112.7947	4.203	4	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	113.6885	3.068	2	112.7947	4.203	4	112.7947	4.203	4	112.7947	4.203	4	112.7947	4.203	4	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	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])	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	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>}	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	117.8460	0.173	2	117.8460	0.030	2	117.8460	0.030	2	115.8088	5.544	4	116.4656	6.315	5	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH){2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	113.7715	0.039	2	113.7715	0.002	2	113.7715	0.002	2	115.8088	5.544	4	116.4656	6.315	5	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O)	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O){3|C<4>,4|O<2>,5|H<1>}	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	116.4656	6.315	5	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C-4:	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H)	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:3:2:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	C[5,5,6,6]-4:C-4:	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:2:3:1:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	112.8740	0.160	2	112.8740	0.026	2	112.8740	0.026	2	112.8740	0.026	2	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	108.3295	0.186	2	108.3295	0.035	2	108.3295	0.035	2	108.3295	0.035	2	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	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)	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	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>}	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	113.8573	2.982	3	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H){2|H<1>,5|C<4>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	112.8640	0.208	2	112.8640	0.043	2	112.8640	0.043	2	113.8573	2.982	3	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	115.2580	0.335	2	115.2580	0.112	2	115.2580	0.112	2	115.2580	0.112	2	112.7929	11.241	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3)	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,3|H<1>,5|C<4>}	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H)	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:2:2:	4:4:2:4:	4:1:	C[3x5,6]-4:C[5,6,6]-4:O[5,6]-2:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH)	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH){1|O<1>,1|O<2>,7|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	115.8370	3.435	4	115.8370	11.801	4	115.8370	11.801	4	115.8370	11.801	4	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5]-2:O-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH)	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH){2|O<2>,6|C<4>}	C[3x5,6](C[3x5,6]C[5,5,3x6]C[5,5,6]O)(C[5,5,6,6]C[5,3x6]C[5,5,6]C)(C[5,5,6]C[5,5,6,6]O[5]O)(H){5|C<4>,5|O<2>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:2:2:	4:4:4:3:	4:4:	C[3x5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:Si-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi)	C[3x5,6](C[3x5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]O[5,6]O)(C[5]C[5]HH)(C[5]C[5]C)	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,5]O[5,6]O)(C[5]C[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,5|H<1>}	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5]O)(C[5,5]C[3x5,6]CO)(CH3)	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH){1|O<2>,2|H<1>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5]O)(C[5,5]C[3x5,6]CO)(CH3){2|C<4>,5|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	115.2990	0.512	2	115.2990	0.262	2	115.2990	0.262	2	115.2990	0.262	2	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:3:2:	4:4:2:3:	4:1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH)	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH){1|H<1>,1|O<2>,2|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:3:2:	4:4:3:3:	4:1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6a]-3:O-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5,6a])(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH){1|H<1>,2|C<3>,2|O<1>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|S<2>,3|C<3>,6|H<1>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5,6a])(H)	112.5870	0.000	1	112.5870	0.000	1	112.5870	0.000	1	112.5870	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[6]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,6]O)(C[5]C[5,5]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:3:2:	4:4:4:1:	4:2:	C[3x5,6]-4:C[5,6]-4:N[5]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O-2:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H)	O(C[5,5,6]C[3x5,6]C[5,6]N[5])(OC)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]N[5]O)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|O<1>,5|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]N[5])(OC)	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:O[5]-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH)	C[3x5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(O[5]C[5])	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH){2|C<3>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(O[5]C[5]){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	116.1740	0.000	1	116.1740	0.000	1	116.1740	0.000	1	116.1740	0.000	1	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.1913	0.021	3	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,2|C<4>,9|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.1913	0.021	3	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.1913	0.021	3	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,5,6]-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH)	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH){1|O<2>,4|C<4>,5|H<1>}	C[3x5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]O)(OH){6|C<4>,6|O<2>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	112.7173	3.771	4	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){2|H<1>,5|C<4>,5|O<2>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	114.3790	0.000	1	113.6030	0.949	3	113.6030	0.949	3	112.7173	3.771	4	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|O<2>,4|H<1>,5|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	112.5100	0.000	1	113.6030	0.949	3	113.6030	0.949	3	112.7173	3.771	4	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|H<1>,4|O<2>,5|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	113.9200	0.000	1	113.6030	0.949	3	113.6030	0.949	3	112.7173	3.771	4	113.0942	13.597	21	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[3x5]	O	4:4:2:2:	4:4:4:2:	4:1:	C[3x5]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,5,6]-4:C[5,5,6,6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH)	C[3x5](C[5,5,6]C[5,6]O[5,6]O)(C[5,5,6,6]C[5,6,6]2C)(C[5]C[5]HH)(O[5]C[5])	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH){4|H<1>,5|C<4>}	C[3x5](C[5,5,6]C[5,6]O[5,6]O)(C[5,5,6,6]C[5,6,6]2C)(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,7|H<1>}	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:2:4:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5]-2:O-2:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH)	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH){2|O<2>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3){1|H<1>,2|O<2>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	116.7260	0.000	1	116.7260	0.000	1	116.7260	0.000	1	116.7260	0.000	1	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,5|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	111.7640	0.000	1	110.6047	0.960	4	110.4752	0.804	5	110.4752	0.804	5	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<1>,4|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	110.4910	0.800	2	110.6047	0.960	4	110.4752	0.804	5	110.4752	0.804	5	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<2>,4|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	109.6730	0.000	1	110.6047	0.960	4	110.4752	0.804	5	110.4752	0.804	5	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO){10|H<1>,1|C<3>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	109.9570	0.000	1	109.9570	0.000	1	110.4752	0.804	5	110.4752	0.804	5	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,4|C<3>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	114.5960	0.000	1	114.5960	0.000	1	114.5960	0.000	1	114.5960	0.000	1	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:3:2:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH)	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[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a])	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	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[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[6]-3:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	113.3340	0.000	1	113.3340	0.000	1	113.3340	0.000	1	113.3340	0.000	1	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	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)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	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>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	113.6190	0.000	1	113.6190	0.000	1	113.6190	0.000	1	114.0610	0.187	3	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	114.0800	0.000	1	114.0800	0.000	1	114.0800	0.000	1	114.0610	0.187	3	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	114.4840	0.000	1	114.4840	0.000	1	114.4840	0.000	1	114.0610	0.187	3	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[3x5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH){3|H<1>,3|O<2>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3){4|C<4>,4|H<1>,5|O<2>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	116.8520	11.849	2	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH)	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH){10|H<1>,2|O<2>,3|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	116.8520	11.849	2	113.5411	7.001	16	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:2:3:2:	4:4:3:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H)	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]O)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:3:4:2:	4:3:4:1:	4:4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:S-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	O(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(SC[6a]OO)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(SC[6a]OO)	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:3:2:1:	4:1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5,6a])(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH){1|H<1>,2|C<3>,2|O<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5,6a])(H)	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	116.3450	0.208	2	116.3450	0.043	2	116.3450	0.043	2	116.3450	0.043	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:3:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,9|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	114.9845	3.516	2	114.9845	12.365	2	114.9845	12.365	2	114.9845	12.365	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6]C)(H){1|O<1>,2|C<3>,3|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:3:2:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	113.7380	0.000	1	113.7380	0.000	1	114.1970	0.421	2	114.1970	0.421	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:3:2:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	114.6560	0.000	1	114.6560	0.000	1	114.1970	0.421	2	114.1970	0.421	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH)	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH){1|O<2>,2|C<3>,4|C<4>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(CH3)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH)	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	113.3620	0.000	1	113.3620	0.000	1	113.3620	0.000	1	110.2405	19.488	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:Se[5]-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H){1|C<3>,4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	110.2405	19.488	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH){1|O<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH){3|H<1>,3|O<2>,4|C<4>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH){3|H<1>,3|O<2>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH){1|O<2>,4|C<4>,5|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:S-4:	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS)	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS)	O(C[5,5,6]C[5,5,6]C[5,6]2)(SCOO)	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS){1|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS){1|C<4>,6|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]2)(SCOO)	111.4760	4.154	2	111.4760	17.252	2	111.4760	17.252	2	111.4760	17.252	2	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Se<2>,1|N<3>,6|H<1>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	112.8930	9.130	23	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:3:3:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:O-2:	C[3x5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2O)(Cl)2	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC){2|C<4>,2|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2O)(Cl)2{1|C<3>,2|C<4>,5|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:3:4:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	120.1029	0.510	7	120.1029	0.260	7	120.1029	0.260	7	120.1029	0.260	7	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:2:2:	4:4:4:1:	4:4:	C[3x5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:Si-4:	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H)	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH){2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	117.9603	0.540	3	117.9603	0.292	3	118.5643	1.653	4	118.5643	1.653	4	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH){2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|O<1>,2|C<4>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	120.3760	0.000	1	120.3760	0.000	1	118.5643	1.653	4	118.5643	1.653	4	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:3:2:	4:4:1:1:	4:4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2{4|C<4>,5|H<1>}	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	118.8430	0.502	2	118.8430	0.252	2	118.8430	0.252	2	118.8430	0.252	2	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H)	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	116.5420	0.000	1	116.5420	0.000	1	116.5420	0.000	1	113.3965	19.788	2	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	113.3965	19.788	2	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:3:2:	4:4:4:4:	4:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC)	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC){3|C<4>}	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2{1|O<1>,1|S<2>,3|C<4>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]O)(H)2	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH){1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	118.3600	0.000	1	118.3600	0.000	1	118.3600	0.000	1	117.8280	0.566	2	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:Br-1:Br-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(Br)2	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH){1|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(Br)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	117.2960	0.000	1	117.2960	0.000	1	117.2960	0.000	1	117.8280	0.566	2	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:4:2:	4:4:2:4:	4:4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|C<4>,2|O<2>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:C[5]-4:C[5]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	117.3204	14.235	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,6,6]-4:O[5,6]-2:O-2:	C[3,5,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3)	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	114.3962	2.821	4	114.3962	7.959	4	114.3962	7.959	4	114.3962	7.959	4	113.6223	5.616	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	112.8760	0.000	1	112.5903	2.113	3	112.5903	2.113	3	112.5903	2.113	3	113.6223	5.616	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|O<2>,4|C<4>,4|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	113.8800	0.000	1	112.5903	2.113	3	112.5903	2.113	3	112.5903	2.113	3	113.6223	5.616	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	111.0150	0.000	1	112.5903	2.113	3	112.5903	2.113	3	112.5903	2.113	3	113.6223	5.616	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:3:4:2:	4:3:4:1:	4:4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:S-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	O(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(SC[6a]OO)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(SC[6a]OO)	115.9240	0.000	1	115.9240	0.000	1	115.9240	0.000	1	116.9625	0.430	8	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:3:4:2:	4:3:4:1:	4:4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	117.1109	0.544	7	117.1109	0.296	7	117.1109	0.296	7	116.9625	0.430	8	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2{1|H<1>,2|O<2>,7|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	109.2160	0.346	2	109.2160	0.120	2	109.2160	0.120	2	110.6953	6.625	3	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[3x5]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH){4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	110.6953	6.625	3	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H)	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H){2|H<1>,3|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	115.4370	0.000	1	115.4370	0.000	1	113.7885	1.251	4	113.7885	1.251	4	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	113.3860	0.031	2	113.2390	0.065	3	113.7885	1.251	4	113.7885	1.251	4	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	112.9450	0.000	1	113.2390	0.065	3	113.7885	1.251	4	113.7885	1.251	4	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	115.0230	0.000	1	115.0230	0.000	1	115.0230	0.000	1	115.0230	0.000	1	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2{1|O<1>,2|C<4>,2|O<2>}	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	113.4868	10.975	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	111.1080	0.826	3	111.1080	0.683	3	112.5400	8.658	4	113.4868	10.975	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	116.8360	0.000	1	116.8360	0.000	1	112.5400	8.658	4	113.4868	10.975	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:2:	C[3x5,6]-4:C[5,6]-4:N[5]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:O-2:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO)	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	O(C[5,5,6]C[3x5,6]C[5,6]N[5])(OC)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	O(C[5,5,6]C[3x5,6]C[5,6]N[5])(OC)	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC){3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	118.0890	0.000	1	118.0890	0.000	1	118.0890	0.000	1	118.0890	0.000	1	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	112.0580	18.654	2	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	112.0580	18.654	2	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(CH3)2	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	111.6428	7.593	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<4>,3|H<1>,4|C<3>}	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	109.0950	0.479	2	111.0125	7.475	4	111.0125	7.475	4	111.6428	7.593	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,9|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<4>,3|C<3>,3|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	112.9300	2.737	2	111.0125	7.475	4	111.0125	7.475	4	111.6428	7.593	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2{2|Br<1>,1|C<4>,3|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{4|H<1>,5|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	113.9454	3.829	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	113.9454	3.829	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH){1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	113.9454	3.829	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	113.9454	3.829	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	113.9454	3.829	5	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:S-4:	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2	O(C[5,5,6]C[5,5,6]C[5,6]2)(SCOO)	C[5,5,6](C[5,5,6]C[5,6]2O)(C[5,6]C[5,6,6]HH)2(OS){1|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,2|C<4>,6|H<1>}	O(C[5,5,6]C[5,5,6]C[5,6]2)(SCOO)	113.6660	4.145	4	113.6660	17.178	4	113.6660	17.178	4	113.6660	17.178	4	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	116.0225	3.653	2	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H)	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	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>}	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	116.0225	3.653	2	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H)	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	109.4743	42.203	3	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	108.0610	0.000	1	108.0610	0.000	1	105.9310	9.074	2	109.4743	42.203	3	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(H)	103.8010	0.000	1	103.8010	0.000	1	105.9310	9.074	2	109.4743	42.203	3	113.4617	12.269	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH)	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2{1|H<1>,4|C<4>}	O(C[5,5,6]C[5,5,6]2C[5])(H)	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	107.8480	4.506	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH){3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2{2|O<2>,5|C<4>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	104.9840	0.000	1	104.9840	0.000	1	104.9840	0.000	1	104.9840	0.000	1	107.8480	4.506	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H){1|O<2>,6|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	110.3010	0.000	1	110.3010	0.000	1	107.9357	4.251	3	107.9357	4.251	3	107.8480	4.506	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H){1|O<2>,6|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	106.5190	0.000	1	106.5190	0.000	1	107.9357	4.251	3	107.9357	4.251	3	107.8480	4.506	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H)	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H){1|O<2>,6|C<4>}	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	106.9870	0.000	1	106.9870	0.000	1	107.9357	4.251	3	107.9357	4.251	3	107.8480	4.506	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH){2|H<1>,2|O<2>,3|C<4>}	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	107.8480	4.506	6	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:2:3:2:	4:4:4:4:	4:1:	C[3x5,6]-4:O[5]-2:C[5]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH)	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]O)(C[5,6]C[5,6]HH)(C[5]C[5]CH)	O(C[5,5]C[3x5,6]C[5]O[5])(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH){4|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5]O[5]O)(C[5,6]C[5,6]HH)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	O(C[5,5]C[3x5,6]C[5]O[5])(H)	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){2|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3x5,6]-4:C[3x5,6]-4:O-2:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:Si-4:	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H)	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H)	O(C[5,5]C[3x5,6]2H)(SiC3)	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H){4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]2H)2(C[5,5]C[3x5,6]HO)(H){4|C<4>,5|H<1>}	O(C[5,5]C[3x5,6]2H)(SiC3)	112.5690	1.990	2	112.5690	3.959	2	112.5690	3.959	2	112.5690	3.959	2	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[3x5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	112.2120	0.000	1	112.2120	0.000	1	112.2120	0.000	1	112.2120	0.000	1	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H)	C[3x5,6](C[3x5,6,6]C[5,5,6,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5]C[5,5,6]HO)(CH3)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H){2|C<3>,4|C<4>}	C[3x5,6](C[3x5,6,6]C[5,5,6,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5]C[5,5,6]HO)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	114.6940	0.000	1	114.6940	0.000	1	114.6940	0.000	1	114.9816	1.057	5	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H){1|O<2>,3|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5]C[5]HH){3|H<1>,4|C<4>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	115.0535	1.173	4	115.0535	1.375	4	115.0535	1.375	4	114.9816	1.057	5	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[3x5,6]-4:C[5,5,6]-4:O-2:O-2:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:Br-1:	C[5,5]-4:C-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]Br)(C[5,5,6]C[4,5,6]C[5,6]Br)(OC)2	C[3x5,6](C[4,5,5,6]C[4,5,6]O[4]O[5])(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br)	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]Br)(C[5,5,6]C[4,5,6]C[5,6]Br)(OC)2{2|C<4>,3|H<1>,3|O<2>}	C[3x5,6](C[4,5,5,6]C[4,5,6]O[4]O[5])(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br){1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	112.0400	8.432	2	112.0400	71.091	2	112.0400	71.091	2	112.0400	71.091	2	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[3x5,6]-4:C-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5]O)(C[5,5]C[3x5,6]CO)(CH3)	O(C[5,5]C[3x5,6]2C)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH){3|H<1>,3|O<2>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5]O)(C[5,5]C[3x5,6]CO)(CH3){2|C<4>,5|H<1>}	O(C[5,5]C[3x5,6]2C)(H)	111.3445	0.518	2	111.3445	0.269	2	111.3445	0.269	2	113.1796	3.048	5	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[3x5,6]-4:C-4:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO)	O(C[5,5]C[3x5,6]2C)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH){3|H<1>,3|O<2>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO){2|O<2>,3|C<4>,4|H<1>}	O(C[5,5]C[3x5,6]2C)(H)	114.3965	0.835	2	114.3965	0.697	2	114.3965	0.697	2	113.1796	3.048	5	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5]-4:C[5]-4:O-2:	C[3x5,6]-4:C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]O[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2O)(C[5]C[5,6]HH)	O(C[5,5]C[3x5,6]C[5]2)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]O[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2O)(C[5]C[5,6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	O(C[5,5]C[3x5,6]C[5]2)(H)	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	113.1796	3.048	5	114.0239	11.912	17	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	3:3:4:2:	4:3:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:N[5,5]-3:N[5]-3:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH)	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2	O(C[5,5]C[5,6a]2C[3x5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH){2|H<1>,2|S<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2{6|C<3>}	O(C[5,5]C[5,6a]2C[3x5])(H)	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	3:3:4:2:	4:4:4:3:	4:4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O)	O(C[5,5]C[5,6a]2C[3x5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O){1|O<2>,5|C<3>}	O(C[5,5]C[5,6a]2C[3x5])(CH3)	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	3:4:2:2:	4:4:4:3:	4:4:	C[5,6a]-3:C[3x5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O)	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC){2|H<1>,2|O<2>,5|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O){1|O<2>,5|C<3>}	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	3:4:4:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[3x5]-4:C[5]-4:O-2:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	O(C[5,5]C[5,6a]C[3x5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[3x5]C[5])(H)	113.8363	0.174	3	113.8363	0.030	3	113.8363	0.030	3	113.8363	0.030	3	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:2:4:2:	4:4:3:2:	4:1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	114.6520	0.000	1	114.6520	0.000	1	114.7370	0.014	2	114.7370	0.014	2	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:2:4:2:	4:4:3:2:	4:1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	114.8220	0.000	1	114.8220	0.000	1	114.7370	0.014	2	114.7370	0.014	2	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:2:2:	3:4:3:4:	4:1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5,5]-4:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH){2|H<1>,4|C<3>,4|C<4>}	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C){3|C<3>,3|C<4>,7|H<1>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:2:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	111.0720	0.000	1	112.0437	0.833	3	112.0437	0.833	3	112.0437	0.833	3	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:2:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	112.5295	0.500	2	112.0437	0.833	3	112.0437	0.833	3	112.0437	0.833	3	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:2:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	113.0280	0.000	1	112.8737	0.067	3	112.8737	0.067	3	112.8737	0.067	3	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:2:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){3|C<3>,5|H<1>}	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	112.7965	0.313	2	112.8737	0.067	3	112.8737	0.067	3	112.8737	0.067	3	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:3:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	110.2237	0.328	3	109.8675	0.579	4	109.8675	0.579	4	110.2847	1.428	9	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:3:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,5|C<3>,7|H<1>}	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	108.7990	0.000	1	109.8675	0.579	4	109.8675	0.579	4	110.2847	1.428	9	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:3:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C)	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	111.2755	0.525	2	111.2755	0.276	2	110.6184	2.109	5	110.2847	1.428	9	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:3:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H)	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){2|C<4>,5|C<3>,6|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	110.1803	1.833	3	110.1803	3.360	3	110.6184	2.109	5	110.2847	1.428	9	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:3:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	111.5210	2.228	3	111.5210	4.964	3	110.9422	3.144	5	110.8783	2.540	6	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:3:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]H)	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	110.0740	0.369	2	110.0740	0.136	2	110.9422	3.144	5	110.8783	2.540	6	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:3:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.8783	2.540	6	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:4:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C)	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH){1|N<2>,3|C<4>,3|H<1>,5|C<3>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C){1|O<1>,6|C<3>,7|H<1>}	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:4:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	112.5060	0.577	2	112.5060	0.333	2	112.5060	0.333	2	112.3748	0.207	5	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:3:4:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,7|H<1>}	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	112.2873	0.468	3	112.2873	0.219	3	112.2873	0.219	3	112.3748	0.207	5	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3,5,5]-4:C[3x5]-4:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H)	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H)	O(C[5,5]C[3,5,5]C[3x5]H)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H){1|B<6>,1|C<3>,4|H<1>}	C[3x5](C[5,5]C[3,5,5]CH)(C[5,5]C[3,5,5]HH)(C[5,5]C[3,5,5]HO)(H){1|B<6>,2|H<1>}	O(C[5,5]C[3,5,5]C[3x5]H)(H)	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:2:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	O(C[5,5]C[3x5]C[5]O[5])(H)	111.4700	0.000	1	112.8185	1.646	4	112.8185	1.646	4	112.8185	1.646	4	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:2:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|H<1>,2|O<1>,5|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,2|H<1>,6|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	114.5260	0.000	1	112.8185	1.646	4	112.8185	1.646	4	112.8185	1.646	4	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:2:2:	4:4:3:3:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){2|H<1>,2|O<1>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,3|H<1>,5|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	112.6390	0.375	2	112.8185	1.646	4	112.8185	1.646	4	112.8185	1.646	4	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[4x5]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH)	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[3x5](C[5,5]C[5]O[5]O)(C[4x5]C[5,5]3)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	O(C[5,5]C[3x5]C[5]O[5])(H)	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:3:2:	4:4:2:2:	4:1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,5]-4:O[5]-2:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH){1|H<1>,4|C<4>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(C[5,5]C[3x5]C[5]2)(H)	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:3:2:	4:4:4:2:	4:1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH)	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH)	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,5]C[3x5]C[5]2)(H)	116.6410	0.000	1	116.6410	0.000	1	116.6410	0.000	1	116.6410	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:4:2:	4:3:4:3:	4:1:	C[3x5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH)	C[3x5](C[5,5]C[5]2O)(N[5,5]C[5]2)(C[5]O[5]HH)(C[5]O[5]O)	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[3x5](C[5,5]C[5]2O)(N[5,5]C[5]2)(C[5]O[5]HH)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	O(C[5,5]C[3x5]C[5]2)(H)	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[3x5]	O	4:4:4:2:	4:4:2:3:	4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:O-2:	C[4x5]-4:C[5,5]-4:O[5]-2:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]C[5,5]C[5]O)(O[5]C[5,5])(C[5]O[5]O)	O(C[5,5]C[3x5]C[5,5]C[5])(H)	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]C[5,5]C[5]O)(O[5]C[5,5])(C[5]O[5]O){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	O(C[5,5]C[3x5]C[5,5]C[5])(H)	110.0045	5.042	2	110.0045	25.426	2	110.0045	25.426	2	110.0045	25.426	2	112.2819	5.322	47	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:3:3:2:	4:4:4:3:	4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O)	O(C[5,5]C[5,5,6,6]C[5,6a]2)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	O(C[5,5]C[5,5,6,6]C[5,6a]2)(H)	116.5950	0.000	1	116.5950	0.000	1	116.5950	0.000	1	116.5950	0.000	1	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:3:4:2:	4:3:3:4:	4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	116.2249	0.477	7	115.6655	2.698	8	115.6655	2.698	8	115.6655	2.698	8	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:3:4:2:	4:3:3:4:	4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	111.7500	0.000	1	115.6655	2.698	8	115.6655	2.698	8	115.6655	2.698	8	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:C[6,6]-4:N[5,6]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	113.9340	0.000	1	113.9340	0.000	1	113.9340	0.000	1	113.9340	0.000	1	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	111.3201	0.881	7	111.3201	0.776	7	112.9541	5.693	11	112.9541	5.693	11	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	115.4565	0.586	2	115.8135	0.292	4	112.9541	5.693	11	112.9541	5.693	11	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	116.1705	0.152	2	115.8135	0.292	4	112.9541	5.693	11	112.9541	5.693	11	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H)	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H)	O(C[5,5]C[4,5,5,6]C[5,5,6,6]H)(H)	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[4,5,3x6]ClH)(C[5,6,6]C[4,5,6,6]HH)(C[5,5]C[4,5,5,6]HO)(H){2|C<4>,2|H<1>}	O(C[5,5]C[4,5,5,6]C[5,5,6,6]H)(H)	115.5920	1.682	3	115.5920	2.830	3	115.5920	2.830	3	115.5920	2.830	3	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	114.4022	5.272	26	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	3:4:3:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	3:4:4:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:2:4:2:	4:2:4:4:	4:1:	C[5,5,6]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH)	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)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH){2|C<3>,3|C<4>,4|H<1>}	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>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:2:2:	4:3:4:1:	4:1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	O(C[5,5]C[5,5,6]C[5,6a]O[5])(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH){2|N<3>,6|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	O(C[5,5]C[5,5,6]C[5,6a]O[5])(H)	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:3:2:	3:3:4:4:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,6]-3:N[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3){2|H<1>,5|C<3>}	O(C[5,5]C[5,5,6]C[5]2)(H)	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:3:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:O-2:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH)	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	O(C[5,5]C[5,5,6]C[5,6a]N[5])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	O(C[5,5]C[5,5,6]C[5,6a]N[5])(H)	117.4630	0.170	2	117.4630	0.029	2	117.4630	0.029	2	117.4630	0.029	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:3:2:	4:4:4:3:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:C[6]-4:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C)	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	113.6636	5.177	5	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	113.7820	0.000	1	114.5655	1.480	4	114.5655	1.480	4	113.6636	5.177	5	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|O<1>,4|H<1>,5|C<4>}	O(C[5,5]C[5,5,6]C[5]2)(H)	113.9320	0.000	1	114.5655	1.480	4	114.5655	1.480	4	113.6636	5.177	5	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[5,5]C[5,5,6]C[5]2)(H)	115.2740	1.556	2	114.5655	1.480	4	114.5655	1.480	4	113.6636	5.177	5	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:3:4:2:	4:4:3:3:	4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H)	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H){1|C<4>,3|C<3>,9|H<1>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	115.4450	0.000	1	115.4450	0.000	1	115.4450	0.000	1	115.4450	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	114.8840	0.000	1	114.8840	0.000	1	114.9180	0.002	2	114.9180	0.002	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	O(C[5,5]C[5,5,6]2H)(H)	114.9520	0.000	1	114.9520	0.000	1	114.9180	0.002	2	114.9180	0.002	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	116.6750	0.000	1	116.4225	0.128	2	116.4225	0.128	2	116.4225	0.128	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	116.1700	0.000	1	116.4225	0.128	2	116.4225	0.128	2	116.4225	0.128	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[5,5]C[5,5,6]2H)(CC3)	116.0330	0.000	1	114.6890	3.613	2	114.6890	3.613	2	114.6890	3.613	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(CC3)	113.3450	0.000	1	114.6890	3.613	2	114.6890	3.613	2	114.6890	3.613	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	O(C[5,5]C[5,5,6]2H)(H)	112.5710	0.000	1	112.6105	0.003	2	112.6105	0.003	2	112.6105	0.003	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<2>}	O(C[5,5]C[5,5,6]2H)(H)	112.6500	0.000	1	112.6105	0.003	2	112.6105	0.003	2	112.6105	0.003	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:2:2:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	110.1975	0.795	2	110.4793	0.403	4	110.4793	0.403	4	110.4793	0.403	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:2:2:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	110.7610	0.508	2	110.4793	0.403	4	110.4793	0.403	4	110.4793	0.403	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:3:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H)	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|S<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(C[5,6]C[5,6]S)(H){3|H<1>}	O(C[5,5]C[5,5,6]2H)(CC3)	115.9000	0.000	1	115.9000	0.000	1	114.0995	6.484	2	114.0995	6.484	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:3:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H)	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|S<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)2(H){1|S<4>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(CC3)	112.2990	0.000	1	112.2990	0.000	1	114.0995	6.484	2	114.0995	6.484	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:3:3:4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3)	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H){1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3){3|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	114.2679	0.335	8	114.2679	0.112	8	114.2679	0.112	8	114.2679	0.112	8	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H){2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	114.4940	4.539	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,2|H<1>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	117.5920	0.000	1	117.5920	0.000	1	117.5920	0.000	1	114.4940	4.539	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[3x5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	114.4940	4.539	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	111.9840	0.000	1	111.9840	0.000	1	113.6645	4.902	4	114.4940	4.539	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	115.5715	0.238	2	115.5715	0.057	2	113.6645	4.902	4	114.4940	4.539	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6]2H)(H)	111.5310	0.000	1	111.5310	0.000	1	113.6645	4.902	4	114.4940	4.539	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|O<2>,3|H<1>,4|C<4>}	O(C[5,5]C[5,5,6]2H)(CH3)	114.7140	0.815	2	114.7140	0.664	2	114.7140	0.664	2	114.4525	0.695	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H){1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	114.9490	0.000	1	114.9490	0.000	1	114.9490	0.000	1	114.4525	0.695	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:P[5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	O(C[5,5]C[5,5,6]2H)(P[5]O[5]S[5]S)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(P[5]O[5]S[5]S)	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	114.4525	0.695	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,1|N<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	109.9150	0.000	1	109.9150	0.000	1	112.3100	3.646	6	112.6764	3.978	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	115.6220	0.000	1	115.6220	0.000	1	112.3100	3.646	6	112.6764	3.978	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	112.8840	0.000	1	112.1470	0.631	3	112.3100	3.646	6	112.6764	3.978	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	111.7785	0.668	2	112.1470	0.631	3	112.3100	3.646	6	112.6764	3.978	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<4>,1|H<1>,1|N<3>}	O(C[5,5]C[5,5,6]2H)(H)	111.8820	0.000	1	111.8820	0.000	1	112.3100	3.646	6	112.6764	3.978	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3){1|C<4>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	114.8750	0.000	1	114.8750	0.000	1	114.8750	0.000	1	112.6764	3.978	7	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:P[5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(C[5,5]C[5,5,6]2H)(P[5]O[5]S[5]S)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OP[5])(H){1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(P[5]O[5]S[5]S)	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	O(C[5,5]C[5,5,6]2H)(H)	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	115.5500	7.304	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	113.6390	0.000	1	113.6390	0.000	1	113.6390	0.000	1	115.5500	7.304	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,3|H<1>}	O(C[5,5]C[5,5,6]2H)(CC3)	115.3800	0.000	1	115.3800	0.000	1	114.2530	2.540	2	114.2530	2.540	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]H)(H){4|H<1>}	O(C[5,5]C[5,5,6]2H)(CC3)	113.1260	0.000	1	113.1260	0.000	1	114.2530	2.540	2	114.2530	2.540	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	115.5410	0.000	1	115.5410	0.000	1	115.5410	0.000	1	115.5410	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	120.7120	0.231	2	120.7120	0.053	2	120.7120	0.053	2	119.0838	5.510	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O(C[5,5]C[5,5,6]2H)(H)	117.4555	2.423	2	117.4555	5.872	2	117.4555	5.872	2	119.0838	5.510	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2H)(CH3)	115.5990	0.000	1	115.5990	0.000	1	111.9687	10.396	3	111.9687	10.396	3	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H)	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CC)(H){2|C<4>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(CH3)	110.1535	1.012	2	110.1535	1.024	2	111.9687	10.396	3	111.9687	10.396	3	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H){1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	117.3558	1.995	4	117.3558	3.982	4	117.3558	3.982	4	117.3558	3.982	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	O(C[5,5]C[5,5,6]2H)(CH3)	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	3:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)2(OC)2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)2(OC)2{2|C<4>,2|H<1>,2|N<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.4355	5.275	16	112.4355	27.829	16	112.4355	27.829	16	112.4355	27.829	16	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]CH)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	111.6640	6.350	4	111.6640	40.319	4	111.4855	30.095	8	111.4855	30.095	8	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	111.3070	5.461	4	111.3070	29.818	4	111.4855	30.095	8	111.4855	30.095	8	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.8967	5.713	8	112.8967	32.643	8	112.8967	32.643	8	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.9162	6.210	4	112.9162	38.566	4	112.9162	38.566	4	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Br-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]2Br)(OC)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Br)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]2Br)(OC)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Br){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.2515	5.085	4	112.2515	25.854	4	112.2515	25.854	4	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,5,6]2Cl)(OC)2	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,5,6]2Cl)(OC)2{1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.2880	5.515	4	112.2880	30.414	4	112.4309	25.500	16	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.5260	7.323	2	112.4786	26.468	12	112.4309	25.500	16	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.8635	7.365	2	112.4786	26.468	12	112.4309	25.500	16	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.3705	5.112	8	112.4786	26.468	12	112.4309	25.500	16	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]2Cl)2(OC)2	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6]2Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.8118	5.966	8	112.8118	35.597	8	112.8118	35.597	8	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,6,6]C[5,6]Cl)(OC)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,6,6]C[5,6]Cl)(OC)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	111.8383	5.853	8	111.8383	34.255	8	112.4564	29.404	20	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.5960	5.580	4	112.8686	28.526	12	112.4564	29.404	20	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5,5]C[5,5,6]2O)(CH3)	113.1077	5.843	4	112.8686	28.526	12	112.4564	29.404	20	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.9020	6.257	4	112.8686	28.526	12	112.4564	29.404	20	112.5727	27.371	60	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:2:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5])	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5]){2|C<3>,2|O<1>,4|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH){2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH){1|O<2>,2|C<4>,6|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	112.1990	0.099	2	112.1990	0.010	2	112.1990	0.010	2	112.1990	0.010	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H){1|O<1>,2|C<4>,7|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[3x5,6]-4:C[5,5,6]-4:O-2:O-2:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:Br-1:	C[5,5]-4:C-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]Br)(C[5,5,6]C[4,5,6]C[5,6]Br)(OC)2	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4]O)(C[5,5]C[3x5,6]OO)(C[5,6]C[5,5,6]HH)(Br)	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]Br)(C[5,5,6]C[4,5,6]C[5,6]Br)(OC)2{2|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4]O)(C[5,5]C[3x5,6]OO)(C[5,6]C[5,5,6]HH)(Br){1|Br<1>,1|C<4>,2|O<2>,3|H<1>}	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	112.9800	6.730	2	112.9800	45.296	2	112.9800	45.296	2	113.0615	26.828	26	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:Br-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]2Br)(OC)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]2Br)(OC)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br){1|Br<1>,1|O<1>,4|C<4>,5|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	113.1835	6.214	4	113.1835	38.614	4	113.1835	38.614	4	113.0615	26.828	26	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,5,6]2Cl)(OC)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,5,6]2Cl)(OC)2{1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	112.2545	5.816	4	112.2545	33.822	4	112.2545	33.822	4	113.0615	26.828	26	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	113.3670	7.253	4	113.4315	39.273	8	113.4315	39.273	8	113.0615	26.828	26	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)(Cl){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	113.4960	6.247	4	113.4315	39.273	8	113.4315	39.273	8	113.0615	26.828	26	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,6,6]C[5,6]Cl)(OC)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,6,6]C[5,6]Cl)(OC)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|O<1>,4|C<4>,5|H<1>}	O(C[5,5]C[5,5,6]2O)(CH3)	113.0545	4.300	8	113.0545	18.489	8	113.0545	18.489	8	113.0615	26.828	26	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6]-4:C[5]-4:O[6]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6])	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|C<4>,9|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	114.5000	0.000	2	114.5000	0.000	2	114.5000	0.000	2	113.4480	1.740	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:2:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH)	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])	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	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>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	112.3960	0.891	2	112.3960	0.794	2	112.3960	0.794	2	113.4480	1.740	4	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:3:2:	3:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:O-2:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	114.6835	0.084	2	114.6835	0.007	2	114.6835	0.007	2	114.6835	0.007	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){4|H<1>}	O(C[5,5]C[5,5,6]2C)(H)	112.9550	0.000	1	112.9550	0.000	1	111.2855	5.574	2	111.2855	5.574	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	O(C[5,5]C[5,5,6]2C)(H)	109.6160	0.000	1	109.6160	0.000	1	111.2855	5.574	2	111.2855	5.574	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H)	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH){1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]HH)2(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5,6]2C)(H)	108.7985	0.687	2	108.7985	0.471	2	108.7985	0.471	2	108.7985	0.471	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH){1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,5]C[5,5,6]2C)(H)	113.2860	0.977	2	113.2860	0.955	2	113.2860	0.955	2	113.2860	0.955	2	113.1479	18.573	200	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:3:4:2:	3:4:3:2:	4:1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:3:4:2:	4:3:3:2:	4:1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	114.4122	3.816	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:3:4:2:	4:3:3:2:	4:1:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	115.6150	0.000	1	115.3510	0.053	3	115.2040	0.068	5	114.4122	3.816	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:3:4:2:	4:3:3:2:	4:1:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	115.2190	0.035	2	115.3510	0.053	3	115.2040	0.068	5	114.4122	3.816	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:3:4:2:	4:3:3:2:	4:1:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	114.9835	0.052	2	114.9835	0.003	2	115.2040	0.068	5	114.4122	3.816	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:2:2:	3:4:3:2:	4:1:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	115.6919	2.076	7	115.6919	4.312	7	115.6919	4.312	7	115.6919	4.312	7	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:2:2:	3:4:3:4:	4:1:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH)	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:2:2:	4:4:4:2:	4:4:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC){1|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	106.8230	0.038	2	106.8230	0.001	2	106.8230	0.001	2	106.8230	0.001	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	3:3:4:2:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH){1|C<4>,1|H<1>,6|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	3:4:2:2:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.9380	2.760	7	113.9380	7.616	7	113.9380	7.616	7	113.9380	7.616	7	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	3:4:4:2:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.3880	3.105	4	113.3880	9.641	4	113.3880	9.641	4	113.3880	9.641	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:2:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.2945	0.423	4	113.3090	0.135	5	113.3090	0.135	5	113.3090	0.135	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:2:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|O<1>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.3670	0.000	1	113.3090	0.135	5	113.3090	0.135	5	113.3090	0.135	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:2:4:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:3:3:2:	4:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	115.0870	0.229	2	115.0870	0.052	2	115.4157	0.350	3	115.5185	0.276	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:3:3:2:	4:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	116.0730	0.000	1	116.0730	0.000	1	115.4157	0.350	3	115.5185	0.276	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:3:3:2:	4:1:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5]-3:N[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH)	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH){2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH){1|H<1>,1|O<1>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	115.8270	0.000	1	115.8270	0.000	1	115.8270	0.000	1	115.5185	0.276	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	116.5500	0.000	1	116.5500	0.000	1	116.5500	0.000	1	114.8370	5.869	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:3:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	114.8370	5.869	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	3:4:3:2:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	112.6903	0.804	4	112.6903	0.646	4	112.6903	0.646	4	112.6903	0.646	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	3:4:4:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	114.9490	0.000	1	114.9490	0.000	1	114.9490	0.000	1	114.9490	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	3:4:4:2:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	111.1315	0.349	2	111.1315	0.122	2	111.1315	0.122	2	111.1315	0.122	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:3:2:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H){3|C<3>,3|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:3:2:4:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	114.5937	0.343	3	114.5937	0.117	3	114.5937	0.117	3	114.5937	0.117	3	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:3:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC){1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:3:3:3:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO){2|C<3>,4|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H)	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H){3|H<1>,5|C<3>}	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:3:2:	4:1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	111.5910	0.000	2	111.5910	0.000	2	111.5910	0.000	2	111.4450	0.064	3	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:3:2:	4:1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH)	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	111.1530	0.000	1	111.1530	0.000	1	111.1530	0.000	1	111.4450	0.064	3	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:3:4:	4:1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	114.0315	0.012	2	114.0315	0.000	2	114.4733	0.586	3	115.2020	2.514	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:3:4:	4:1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	115.3570	0.000	1	115.3570	0.000	1	114.4733	0.586	3	115.2020	2.514	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:3:4:	4:1:	N[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3)	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){2|C<3>,2|O<1>,4|H<1>}	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	115.2020	2.514	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<1>,6|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	O(C[5,5]C[5,6a]C[5,5]2)(H)	113.3150	0.000	1	111.4365	7.058	2	111.4365	7.058	2	111.4365	7.058	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<2>,6|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	O(C[5,5]C[5,6a]C[5,5]2)(H)	109.5580	0.000	1	111.4365	7.058	2	111.4365	7.058	2	111.4365	7.058	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:4:3:	4:1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO)	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|N<3>,2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO){1|C<3>,1|N<3>,4|H<1>}	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	114.6805	0.271	2	114.6805	0.073	2	114.6805	0.073	2	113.5888	4.788	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:4:3:	4:1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<1>,6|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,7|C<3>}	O(C[5,5]C[5,6a]C[5,5]2)(H)	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	113.5888	4.788	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:4:3:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	114.6790	0.000	1	114.6790	0.000	1	114.6790	0.000	1	113.5888	4.788	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	3:4:4:2:	4:4:4:4:	4:1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<2>,6|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	O(C[5,5]C[5,6a]C[5,5]2)(H)	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:2:3:2:	3:4:3:4:	4:1:	C[5,5]-4:O[5]-2:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	117.9040	0.000	1	117.9040	0.000	1	117.9040	0.000	1	117.9040	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:2:4:2:	3:4:4:3:	4:1:	C[5,5]-4:O[5]-2:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH){2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	116.2105	0.438	4	116.2105	0.192	4	116.2105	0.192	4	116.2105	0.192	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:2:2:	3:4:3:3:	4:1:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	117.7510	0.000	1	117.7510	0.000	1	117.7510	0.000	1	117.7510	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:2:2:	4:4:4:3:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:N-3:	C[5,5]-4:Si-4:	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO)	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO){3|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	113.0110	0.000	1	113.0110	0.000	1	113.0110	0.000	1	113.0110	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:3:4:2:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	112.2135	4.807	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:3:4:2:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|O<1>,2|H<1>,5|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	113.8510	0.243	2	112.6037	4.697	3	111.7522	4.412	5	112.2135	4.807	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:3:4:2:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|O<1>,6|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	110.1090	0.000	1	112.6037	4.697	3	111.7522	4.412	5	112.2135	4.807	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:3:4:2:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	110.4750	1.679	2	110.4750	2.818	2	111.7522	4.412	5	112.2135	4.807	6	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:4:3:2:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	113.0160	0.380	2	113.0160	0.145	2	113.4390	0.609	3	114.3233	3.534	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:4:3:2:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	114.2850	0.000	1	114.2850	0.000	1	113.4390	0.609	3	114.3233	3.534	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:4:3:2:	4:1:	C[5,5]-4:C[5]-3:N[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH){2|C<3>,2|H<1>,2|O<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	116.9760	0.000	1	116.9760	0.000	1	116.9760	0.000	1	114.3233	3.534	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:4:3:3:	4:1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	3:4:3:4:	4:1:	C[5,5]-4:N[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH){1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[5,5]C[5,5]C[5]N[5])(H)	112.5188	0.820	4	112.5188	0.673	4	112.5188	0.673	4	112.5188	0.673	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	4:3:3:2:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){2|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	111.2540	0.000	2	111.2540	0.000	2	111.2540	0.000	2	113.1578	5.070	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	4:3:3:2:	4:1:	C[5,5]-4:N[5]-3:N[5]-3:O-2:	C[5,5]-4:N[5]-3:N[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH)	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH)	O(C[5,5]C[5,5]N[5]2)(H)	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH){2|C<4>,2|O<1>}	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH){2|C<4>,2|O<1>}	O(C[5,5]C[5,5]N[5]2)(H)	115.0615	0.845	2	115.0615	0.714	2	115.0615	0.714	2	113.1578	5.070	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	O(C[5,5]C[5,5]C[5]2)(H)	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:3:2:	4:4:4:1:	4:4:	C[5,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC)	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	109.6190	0.342	2	109.6190	0.117	2	109.6190	0.117	2	109.6190	0.117	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:4:2:	4:3:4:2:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a]){1|O<2>,3|H<1>,7|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	110.3450	0.000	1	110.3450	0.000	1	112.3837	4.172	3	112.3837	4.172	3	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:4:2:	4:3:4:2:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]S[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]S[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a]){1|O<2>,3|H<1>,7|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.4030	1.452	2	113.4030	2.109	2	112.3837	4.172	3	112.3837	4.172	3	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:4:2:	4:4:3:2:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH){1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,5|H<1>,6|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	111.9160	0.000	1	111.9160	0.000	1	112.6875	1.190	2	112.6875	1.190	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:3:4:2:	4:4:3:2:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.4590	0.000	1	113.4590	0.000	1	112.6875	1.190	2	112.6875	1.190	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,5,5,6]-4:C[5,5]-4:O-2:H-1:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2	O(C[5,5]C[4,5,5,6]C[5,5]H)(H)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2{1|O<1>,3|C<4>}	O(C[5,5]C[4,5,5,6]C[5,5]H)(H)	111.6250	0.000	1	111.6250	0.000	1	111.6250	0.000	1	111.6250	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:3:4:3:	4:1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH)	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|H<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	113.2440	0.000	1	113.2440	0.000	1	114.8765	5.330	2	114.8765	5.330	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:3:4:3:	4:1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH)	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,3|C<3>}	O(C[5,5]C[5,5]C[5]N[5])(H)	116.5090	0.000	1	116.5090	0.000	1	114.8765	5.330	2	114.8765	5.330	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5,5]C[5,5]2O[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5]2O[5])(H)	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[6]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	107.7600	0.681	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]BrH)(O[5]C[5])(H){1|N<2>,1|O<2>,3|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	108.4550	0.000	1	108.4550	0.000	1	108.1423	0.145	3	107.7600	0.681	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	107.9860	0.378	2	107.9860	0.143	2	108.1423	0.145	3	107.7600	0.681	4	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:3:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CO)(O[5]C[5])(COO)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CO)(O[5]C[5])(COO){1|O<1>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:2:4:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	110.0310	0.799	2	110.0310	0.638	2	110.0310	0.638	2	110.0310	0.638	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	116.4140	0.274	2	116.4140	0.075	2	116.4140	0.075	2	116.4140	0.075	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC){6|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:3:2:	4:1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	O(C[5,5]C[5,5]2O[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5]2O[5])(H)	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:3:2:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6]-4:	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6])	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	117.3450	0.000	1	117.3450	0.000	1	117.3450	0.000	1	117.3450	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:3:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(H)	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	112.7525	25.397	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]O)(C[5]C[5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(H)	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	112.7525	25.397	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:2:2:	4:4:4:3:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC){1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO){1|H<1>,1|S<4>,5|C<3>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	3:4:4:2:	4:1:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	108.6780	0.000	2	108.6780	0.000	2	108.6780	0.000	2	109.4570	1.821	3	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	3:4:4:2:	4:1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	109.4570	1.821	3	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	3:4:4:4:	4:1:	C[5,5]-4:C[5,6]-4:N[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3)	O(C[5,5]C[5,5]C[5,6]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	O(C[5,5]C[5,5]C[5,6]N[5])(H)	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:3:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH){1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:3:3:1:	4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H)	O(C[5,5]C[5,5]2C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]H)(C[5]C[5]O)(H){2|H<1>,3|C<4>}	O(C[5,5]C[5,5]2C[5])(H)	114.5520	0.000	1	114.5520	0.000	1	114.5520	0.000	1	114.5520	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H)	O(C[5,5]C[5,5]2C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2)(C[5]C[5]HH)(H){2|C<3>,7|H<1>}	O(C[5,5]C[5,5]2C[5])(H)	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:2:3:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(O[5]C[5])(COO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(O[5]C[5])(COO){1|C<3>,1|C<4>,2|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<3>,1|N<3>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,5|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.3246	1.486	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH){1|O<1>,2|N<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	114.1213	1.672	3	114.1213	2.794	3	114.2100	1.894	4	114.3246	1.486	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH){1|O<1>,2|N<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	114.4760	0.000	1	114.4760	0.000	1	114.2100	1.894	4	114.3246	1.486	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	116.7320	0.000	1	116.7320	0.000	1	116.7320	0.000	1	115.3294	10.588	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|C<2>,1|H<1>,3|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	117.8720	0.000	1	117.8720	0.000	1	114.9787	13.298	4	115.3294	10.588	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	114.0143	3.790	3	114.0143	14.366	3	114.9787	13.298	4	115.3294	10.588	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	3:4:2:2:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC){1|C<4>,3|C<3>,5|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	112.0555	1.006	2	112.0555	1.012	2	112.0555	1.012	2	112.0555	1.012	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	N[5,6]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH)	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH){1|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,5|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.0570	0.000	1	113.0570	0.000	1	113.0570	0.000	1	111.5630	4.464	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H){1|H<1>,1|O<2>,5|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	111.5630	4.464	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:3:2:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO){1|O<2>,5|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH)	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H)	O(C[5,5]C[3x5]C[5,5]C[5])(H)	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,5](C[5,5]C[3x5]C[5]O)(C[5]C[4x5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,5]C[3x5]C[5,5]C[5])(H)	109.9990	4.999	2	109.9990	24.992	2	109.9990	24.992	2	111.6352	12.385	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|F<1>,1|N<3>,7|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	115.2830	0.000	1	115.2830	0.000	1	114.2180	2.268	2	111.6352	12.385	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH)	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|N<3>,8|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.1530	0.000	1	113.1530	0.000	1	114.2180	2.268	2	111.6352	12.385	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH){1|F<1>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|F<1>,1|N<3>,6|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	111.6352	12.385	5	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,6|H<1>}	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	115.3455	1.416	2	115.3455	2.006	2	115.3455	2.006	2	115.3455	2.006	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH){1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:3:1:	4:4:	C[5,5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H)	O(C[5,5]C[5,5]2C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H){2|C<4>,6|H<1>}	O(C[5,5]C[5,5]2C[5])(CH3)	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,4|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|O<2>,5|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	116.1590	0.000	1	116.1590	0.000	1	116.1590	0.000	1	114.7715	3.850	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,6]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3){2|C<4>,9|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	114.7715	3.850	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H)	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	104.6830	0.000	1	104.6830	0.000	1	104.6830	0.000	1	104.6830	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	O(C[5,5]C[5,5]2C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	O(C[5,5]C[5,5]2C[5])(CH3)	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){8|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO){1|C<3>,7|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.1740	0.000	1	113.1740	0.000	1	113.8465	0.905	2	113.8465	0.905	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CCHH)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH){8|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CCHH){8|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	114.5190	0.000	1	114.5190	0.000	1	113.8465	0.905	2	113.8465	0.905	2	113.0360	8.044	165	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6a]-3:N[5,5]-3:O-2:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH)	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	O(C[5,5]C[5,6,6]C[5,6a]N[5,5])(H)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	O(C[5,5]C[5,6,6]C[5,6a]N[5,5])(H)	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	108.9487	10.530	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[5,5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.9487	10.530	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,5]-4:C[6,6]-4:C[5]-4:	C[5,5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH)	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,7|H<1>,8|C<4>}	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	108.9487	10.530	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	106.9770	0.000	2	106.9770	0.000	2	106.9770	0.000	2	106.9770	0.000	2	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:3:3:2:	4:4:4:3:	4:1:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	O(C[5,5]C[5,6]N[5,5]C[5])(H)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	O(C[5,5]C[5,6]N[5,5]C[5])(H)	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:3:3:2:	4:4:4:3:	4:4:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,5]-4:C-4:	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	109.3125	0.402	2	109.3125	0.162	2	109.3125	0.162	2	109.3125	0.162	2	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	108.5300	0.280	2	108.5300	0.078	2	108.6700	0.206	5	108.6115	0.186	6	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	108.7633	0.584	3	108.7633	0.341	3	108.6700	0.206	5	108.6115	0.186	6	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH){1|N<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.6115	0.186	6	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:4:3:2:	4:2:3:1:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	114.3860	0.000	2	114.3860	0.000	2	114.3860	0.000	2	114.3860	0.000	2	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5,6]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH)	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	O(C[5,5]C[5,5]C[5,6]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	O(C[5,5]C[5,5]C[5,6]N[5])(H)	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	113.2190	0.000	1	113.2190	0.000	1	113.6328	5.664	4	113.6328	5.664	4	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	113.7707	2.895	3	113.7707	8.381	3	113.6328	5.664	4	113.6328	5.664	4	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|C<4>,6|H<1>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	110.4360	11.300	22	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:2:4:2:	4:4:2:1:	4:4:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	106.8680	0.000	1	106.8680	0.000	1	106.8680	0.000	1	106.8680	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:3:4:2:	4:4:4:1:	4:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H)	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:3:4:2:	4:4:4:3:	4:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO)	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO){2|H<1>,3|C<3>}	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	109.0750	0.000	1	109.0750	0.000	1	106.8043	3.900	3	106.8043	3.900	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:3:4:2:	4:4:4:3:	4:1:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO)	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO){2|H<1>,3|C<3>}	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	105.6690	0.257	2	105.6690	0.066	2	106.8043	3.900	3	106.8043	3.900	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:Br-1:Br-1:	C[5,5]-4:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH){2|C<4>,5|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[5,5]N[3x5]C[5]2)(H)	113.9980	0.000	1	113.9980	0.000	1	115.6500	5.458	2	112.6750	29.281	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:Br-1:Br-1:	C[5,5]-4:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH){2|C<4>,6|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)2{1|H<1>,1|O<1>,3|C<4>}	O(C[5,5]N[3x5]C[5]2)(H)	117.3020	0.000	1	117.3020	0.000	1	115.6500	5.458	2	112.6750	29.281	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH)	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5,5]N[5,5]C[5]2)(H)	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	112.6750	29.281	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:3:2:	4:4:3:1:	4:1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:H-1:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,7|C<3>}	O(C[5,5]N[5,5]C[5]2)(H)	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:2:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	108.5525	1.918	2	108.5525	3.680	2	108.5525	3.680	2	108.5525	3.680	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:2:4:4:	4:1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	109.6853	6.614	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	107.5170	0.000	1	107.5170	0.000	1	110.0680	7.169	5	109.6853	6.614	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	114.6280	0.000	1	114.6280	0.000	1	110.0680	7.169	5	109.6853	6.614	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	109.3983	0.125	3	109.3983	0.016	3	110.0680	7.169	5	109.6853	6.614	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:2:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.0880	1.748	2	113.0880	3.055	2	112.8113	1.277	4	112.8113	1.277	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:2:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	112.5345	0.685	2	112.5345	0.469	2	112.8113	1.277	4	112.8113	1.277	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:3:2:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:3:4:1:	4:4:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|N<3>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	106.9600	1.106	2	106.9600	1.223	2	106.9503	0.612	3	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,5|C<3>}	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	106.9310	0.000	1	106.9310	0.000	1	106.9503	0.612	3	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[3x5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2	O(C[5,5]C[5,6a]C[3x5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	O(C[5,5]C[5,6a]C[3x5]C[5])(H)	108.4823	0.275	3	108.4823	0.076	3	108.4823	0.076	3	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2{1|N<3>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	113.9060	0.000	1	113.9060	0.000	1	114.0895	0.067	2	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	114.2730	0.000	1	114.2730	0.000	1	114.0895	0.067	2	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	109.5985	3.211	2	109.5985	10.310	2	109.5985	10.310	2	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	N[3x5]-3:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,5]-4:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H)	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(Br)(H){3|C<4>,3|H<1>}	O(C[5,5]N[3x5]C[5]2)(H)	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	N[3x5]-3:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	O(C[5,5]N[3x5]C[5]2)(H)	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.6235	9.706	13	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:4:	O[3x5]-3:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(OC)	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	O(C[5,5]O[3x5]C[5]2)(CH3)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(OC){2|C<4>,6|H<1>}	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	O(C[5,5]O[3x5]C[5]2)(CH3)	114.1720	7.348	2	114.1720	53.997	2	114.1720	53.997	2	114.1720	53.997	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:2:4:2:	4:3:2:1:	4:1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H){1|O<2>,3|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:2:4:2:	4:3:4:2:	4:1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	110.6782	1.847	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5,5]-4:O[5]-2:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	O(C[5,5]C[5,5]C[5]O[5])(H)	111.2860	0.022	4	111.2860	0.000	4	111.2860	0.000	4	110.6782	1.847	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:2:4:1:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	111.4235	2.155	2	110.5613	2.657	4	110.5613	2.657	4	110.5613	2.657	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:2:4:1:	4:1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	O(C[5,5]C[5,5,6]C[5]2)(H)	109.6990	0.597	2	110.5613	2.657	4	110.5613	2.657	4	110.5613	2.657	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	110.8970	0.796	7	110.8970	0.633	7	110.8970	0.633	7	110.8970	0.633	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[3,5]-4:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5,6]-3:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,5]C[3,5]N[5,5]C[5])(H)	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	112.9420	0.000	1	112.5345	0.332	2	112.5345	0.332	2	112.0503	7.869	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	112.1270	0.000	1	112.5345	0.332	2	112.5345	0.332	2	112.0503	7.869	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	108.2240	0.000	1	108.2240	0.000	1	111.5660	22.338	2	112.0503	7.869	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	114.9080	0.000	1	114.9080	0.000	1	111.5660	22.338	2	112.0503	7.869	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	105.6925	1.471	2	107.3603	9.428	3	106.5157	9.138	4	106.5157	9.138	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	110.6960	0.000	1	107.3603	9.428	3	106.5157	9.138	4	106.5157	9.138	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	103.9820	0.000	1	103.9820	0.000	1	106.5157	9.138	4	106.5157	9.138	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H)	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH)	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:2:4:2:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH)	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH){1|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(H)	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2{3|C<4>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	114.4485	0.834	2	114.4485	0.695	2	114.4485	0.695	2	114.6840	0.468	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH)	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|N<2>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	114.0410	0.000	1	114.0410	0.000	1	114.0410	0.000	1	114.6840	0.468	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{3|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(H)	115.2410	0.177	2	115.2410	0.031	2	115.2410	0.031	2	114.6840	0.468	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:1:1:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>}	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	117.4830	2.521	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	115.1160	0.000	1	115.1160	0.000	1	117.2577	3.476	3	117.4830	2.521	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	118.3285	0.269	2	118.3285	0.073	2	117.2577	3.476	3	117.4830	2.521	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:2:1:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H)	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H){1|H<1>,3|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(H)	107.5035	1.034	2	107.5035	1.070	2	107.5035	1.070	2	107.5035	1.070	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:3:3:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC)	C[5](C[5,5]C[5,5]O[5]O)(N[5]C[5]S)(COO)2	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(N[5]C[5]S)(COO)2{1|H<1>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|H<1>,2|O<1>,5|C<4>}	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	110.9880	0.000	1	110.9880	0.000	1	114.3625	5.173	4	114.3625	5.173	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){2|H<1>,2|O<1>,4|C<4>}	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	115.2815	0.285	2	115.2815	0.081	2	114.3625	5.173	4	114.3625	5.173	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H)	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	115.8990	0.000	1	115.8990	0.000	1	114.3625	5.173	4	114.3625	5.173	4	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H)	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC){6|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:3:4:4:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2{1|H<1>,2|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	117.6720	0.000	1	117.6720	0.000	1	117.6720	0.000	1	117.6720	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[5,5]C[3x5]C[5]O[5])(H)	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.1998	9.091	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	111.1998	9.091	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	116.9290	0.000	1	116.9290	0.000	1	112.0437	17.900	3	111.1998	9.091	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	109.6010	0.000	2	109.6010	0.000	2	112.0437	17.900	3	111.1998	9.091	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(H)	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	111.1998	9.091	6	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	O(C[5,5]C[5,5]C[5]O[5])(CH3)	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:2:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi)	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH){2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O(C[5,5]C[5,5,6]C[5]O[5])(H)	115.7430	0.313	2	115.7430	0.098	2	115.7430	0.098	2	115.7430	0.098	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	115.3990	0.000	1	115.3990	0.000	1	115.3990	0.000	1	115.3990	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:2:4:1:	4:1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	O(C[5,5]C[3x5]C[5]2)(H)	114.2070	0.000	1	114.2070	0.000	1	114.2070	0.000	1	114.2070	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[5,5]C[5,5]C[5]2)(H)	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	O(C[5,5]C[5,5,6]C[5]2)(H)	108.7755	0.653	2	108.7755	0.426	2	108.7755	0.426	2	110.1304	6.288	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	110.1304	6.288	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH){1|O<1>,2|N<3>,3|H<1>}	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	O(C[5,5]C[5,5]C[5]N[5])(H)	110.3623	2.849	3	110.3623	8.117	3	111.2455	8.531	4	110.1304	6.288	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH){1|O<1>,2|N<3>,3|H<1>}	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{2|N<3>,3|C<3>,3|H<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	113.8950	0.000	1	113.8950	0.000	1	111.2455	8.531	4	110.1304	6.288	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH)	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H)	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH){1|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	O(C[5,5]C[3x5]C[5]2)(H)	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH)	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]N[5])(H)	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	112.2530	0.324	2	112.2530	0.105	2	112.2530	0.105	2	112.2530	0.105	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[3x5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[5,5]C[3x5]C[5]2)(H)	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	109.7127	9.547	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	108.3740	0.000	1	108.3740	0.000	1	110.8100	11.868	2	109.7127	9.547	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[5,5]C[5,5]C[5]2)(H)	113.2460	0.000	1	113.2460	0.000	1	110.8100	11.868	2	109.7127	9.547	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:2:4:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<4>,2|O<2>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H){1|O<2>,5|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH)	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H)	O(C[5,5]C[3x5]C[5,5]C[5])(H)	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5,5]C[3x5]C[5,5]C[5])(H)	114.3095	1.494	2	114.3095	2.232	2	114.3095	2.232	2	111.3598	16.116	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[3x5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH)	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H)	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,5]C[3x5]C[5]2)(H)	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	111.3598	16.116	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	107.0605	0.759	2	107.0605	0.576	2	107.0605	0.576	2	111.3598	16.116	5	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x5,6]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2	O(C[5,5]C[3x5,6]C[5]2)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	O(C[5,5]C[3x5,6]C[5]2)(H)	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,1|F<1>,2|O<2>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	107.0990	0.000	1	107.0990	0.000	1	107.5110	0.339	2	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|O<2>,5|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	107.9230	0.000	1	107.9230	0.000	1	107.5110	0.339	2	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.1290	0.000	1	113.1290	0.000	1	111.0075	9.002	2	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	108.8860	0.000	1	108.8860	0.000	1	111.0075	9.002	2	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.8410	0.000	1	113.8410	0.000	1	113.8410	0.000	1	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	112.6570	0.000	1	112.6570	0.000	1	110.8665	6.008	8	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	O(C[5,5]C[5,5]C[5]2)(H)	106.2320	0.000	1	106.2320	0.000	1	110.8665	6.008	8	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){8|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	111.4650	0.000	1	111.4650	0.000	1	110.8665	6.008	8	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH){8|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	109.5795	2.108	2	109.5795	4.443	2	110.8665	6.008	8	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	113.2290	0.000	1	113.2290	0.000	1	110.8665	6.008	8	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH){1|F<1>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2{1|C<4>,2|O<2>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	112.6690	0.000	1	112.6690	0.000	1	110.8665	6.008	8	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH){1|F<1>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	111.5210	0.000	1	111.5210	0.000	1	110.8665	6.008	8	110.7469	6.598	14	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:Si-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	115.2420	0.000	1	113.2460	7.968	2	111.6663	11.588	4	112.4901	9.773	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:Si-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{2|H<1>,5|C<4>}	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	111.2500	0.000	1	113.2460	7.968	2	111.6663	11.588	4	112.4901	9.773	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:Si-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	107.1870	0.000	1	110.0865	16.814	2	111.6663	11.588	4	112.4901	9.773	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:Si-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	112.9860	0.000	1	110.0865	16.814	2	111.6663	11.588	4	112.4901	9.773	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]2C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	O(C[5,5]C[5,5]2C[5])(CH3)	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	112.4901	9.773	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,3|O<2>}	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	115.2710	0.747	2	115.2710	0.558	2	115.2710	0.558	2	112.4901	9.773	7	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	114.1250	0.000	1	114.1250	0.000	1	110.6327	14.467	3	110.6327	14.467	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	111.1930	0.000	1	111.1930	0.000	1	110.6327	14.467	3	110.6327	14.467	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H){3|H<1>,4|C<3>}	O(C[5,5]C[5,5]C[5]2)(H)	106.5800	0.000	1	106.5800	0.000	1	110.6327	14.467	3	110.6327	14.467	3	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H)	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	103.5535	1.672	2	103.5535	2.797	2	103.5535	2.797	2	103.5535	2.797	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3x5,6]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH)	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H)	O(C[5,5]C[3x5,6]C[5]2)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5,6]C[5]O)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[5,5]C[3x5,6]C[5]2)(H)	103.6740	0.000	1	103.6740	0.000	1	103.6740	0.000	1	105.1445	4.325	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H)	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){8|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(CCH)(H){3|C<4>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	106.6150	0.000	1	106.6150	0.000	1	106.6150	0.000	1	105.1445	4.325	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){3|H<1>,4|C<4>}	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	108.8535	18.235	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H)	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5,6]C[5])(H)	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	108.8535	18.235	2	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,5]-4:C-4:C-4:	C[5,5]-4:H-1:	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	O(C[5,5]C[5,5]C[5]2)(H)	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	110.9796	11.776	152	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:3:2:2:	4:4:3:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[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-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	119.8790	0.000	1	119.8790	0.000	1	119.3695	0.519	2	119.3695	0.519	2	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:3:2:2:	4:4:3:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[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-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	118.8600	0.000	1	118.8600	0.000	1	119.3695	0.519	2	119.3695	0.519	2	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H)	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	117.4377	0.453	4	117.4377	0.205	4	117.4377	0.205	4	117.9074	1.257	5	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	117.9074	1.257	5	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:3:3:2:	4:4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:Si-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	114.2720	0.000	1	114.2720	0.000	1	114.2720	0.000	1	114.2720	0.000	1	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:O-2:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H)	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH){2|C<3>,3|C<4>,3|O<2>}	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H){2|C<3>,3|O<2>,5|C<4>}	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:H-1:	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[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:2:2:	4:4:4:3:	4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,6,6]-4:C-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[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	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[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	107.1560	0.020	2	107.1560	0.000	2	107.1560	0.000	2	107.1560	0.000	2	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:3:2:	4:3:4:3:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	107.7345	0.311	4	107.7345	0.097	4	107.7345	0.097	4	107.7345	0.097	4	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl)	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	114.0825	0.344	2	114.0825	0.119	2	114.0825	0.119	2	114.0825	0.119	2	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:3:2:	4:4:3:2:	4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:3:2:	4:4:3:3:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,4|C<3>,4|C<4>,5|H<1>}	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	108.8750	0.352	2	108.8750	0.124	2	108.8750	0.124	2	110.2973	7.421	9	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	112.0750	0.000	1	112.0750	0.000	1	111.5425	4.899	6	110.2973	7.421	9	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	112.1315	2.197	4	111.4360	6.038	5	111.5425	4.899	6	110.2973	7.421	9	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	108.6540	0.000	1	111.4360	6.038	5	111.5425	4.899	6	110.2973	7.421	9	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	105.6710	0.000	1	105.6710	0.000	1	105.6710	0.000	1	110.2973	7.421	9	112.4750	18.234	31	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,4x6]	O	4:3:2:2:	4:4:4:4:	4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH)	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,3x6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:C-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[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH)	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	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[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH){1|C<4>,3|O<2>,9|H<1>}	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	116.2845	27.654	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,3x6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	116.2845	27.654	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(H)	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:2:2:	4:1:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC)	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	110.1635	0.839	2	110.1635	0.704	2	110.1635	0.704	2	110.1635	0.704	2	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	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)	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	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>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	106.1980	0.000	1	106.1980	0.000	1	107.8847	4.633	3	108.0290	3.172	4	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	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)	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	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>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	108.7280	2.236	2	108.7280	4.999	2	107.8847	4.633	3	108.0290	3.172	4	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	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)	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	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>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.0290	3.172	4	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H)	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	110.2458	0.578	4	110.2458	0.334	4	110.2458	0.334	4	110.2458	0.334	4	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	105.4385	1.312	2	105.4385	1.721	2	105.4385	1.721	2	105.4385	1.721	2	109.2303	6.917	14	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O	4:3:4:2:	4:4:3:4:	4:1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	O(C[5,6,6]C[5,5,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	O(C[5,6,6]C[5,5,6]C[6,6]N[5,6])(H)	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	114.4673	7.944	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:H-1:	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[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3)	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){1|H<1>,1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3){2|O<2>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	117.5260	0.000	1	117.5260	0.000	1	114.7505	15.407	2	114.7505	15.407	2	114.4673	7.944	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:H-1:	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[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3)	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	111.9750	0.000	1	111.9750	0.000	1	114.7505	15.407	2	114.7505	15.407	2	114.4673	7.944	3	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	3:3:4:2:	3:3:4:2:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:Si-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC3)	108.3970	0.000	2	108.3970	0.000	2	108.3970	0.000	2	108.3970	0.000	2	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	3:3:4:2:	3:3:4:4:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	105.8200	0.000	1	105.8200	0.000	1	105.3718	0.395	4	105.3718	0.395	4	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	3:3:4:2:	3:3:4:4:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	105.2223	0.677	3	105.2223	0.458	3	105.3718	0.395	4	105.3718	0.395	4	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	3:3:4:2:	4:3:3:2:	4:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	103.1110	0.000	1	103.1110	0.000	1	103.1110	0.000	1	103.1110	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	3:3:4:2:	4:4:3:2:	4:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:3:3:2:	3:3:4:2:	4:2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO)	O(C[5,6,6]C[5,6,6]3)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO){2|C<4>,6|C<3>}	O(C[5,6,6]C[5,6,6]3)(OC)	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:3:4:2:	4:4:4:3:	4:1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	O(C[5,6,6]C[5,6,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH){2|N<3>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[6,6]N[5,6])(H)	117.4020	0.000	1	117.4020	0.000	1	117.4020	0.000	1	117.4020	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	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)	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	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>}	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	113.1020	0.000	1	113.1020	0.000	1	113.1020	0.000	1	113.1020	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:4:	4:1:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:	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[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)	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH){2|C<3>,2|C<4>,3|H<1>}	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>}	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	109.9822	2.983	4	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:4:	4:1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:O-2:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3)	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH){2|C<3>,3|C<4>,3|O<2>}	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	109.9822	2.983	4	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	107.5760	0.000	1	107.5760	0.000	1	109.6065	8.246	2	109.9822	2.983	4	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	111.6370	0.000	1	111.6370	0.000	1	109.6065	8.246	2	109.9822	2.983	4	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:2:2:	4:4:3:2:	4:1:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	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])	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	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>}	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	3:3:4:2:	4:2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:O-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO)	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:3:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	O(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){2|C<4>,8|C<3>}	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	109.5830	0.000	1	109.5830	0.000	1	112.5378	2.911	5	111.9470	4.423	6	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){1|C<4>,9|C<3>}	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	113.2765	0.493	4	113.2765	0.243	4	112.5378	2.911	5	111.9470	4.423	6	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	111.9470	4.423	6	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3)	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	O(C[5,6,6]C[5,6,6]2C[6])(H)	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,2|O<2>,3|C<3>}	O(C[5,6,6]C[5,6,6]2C[6])(H)	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	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)	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	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>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	109.3330	2.182	2	109.3330	4.762	2	109.3330	4.762	2	109.3330	4.762	2	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	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])	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	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>}	O(C[5,6,6]C[5,6,6]2C[6])(H)	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	111.3070	13.416	2	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	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])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	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>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	111.3070	13.416	2	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	102.1520	0.000	1	102.1520	0.000	1	102.1520	0.000	1	102.1520	0.000	1	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O)	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O){1|C<3>,5|C<4>,9|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	108.1063	0.891	4	108.1063	0.794	4	108.1063	0.794	4	109.2042	6.623	5	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	O(C[5,6,6]C[5,6,6]2C[6])(H)	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	109.2042	6.623	5	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|O<2>,4|C<4>,4|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	108.4250	0.000	1	109.3367	1.170	3	109.3367	1.170	3	109.5076	3.696	10	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	109.7925	1.046	2	109.3367	1.170	3	109.3367	1.170	3	109.5076	3.696	10	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]O)(C[5]O[5]HH)(CH3)	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	107.1940	0.000	1	107.1940	0.000	1	107.1940	0.000	1	109.5076	3.696	10	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	109.5076	3.696	10	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	108.6870	0.000	1	109.4780	4.159	5	109.4780	4.159	5	109.5076	3.696	10	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	108.5325	0.093	2	109.4780	4.159	5	109.4780	4.159	5	109.5076	3.696	10	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	110.8190	3.258	2	109.4780	4.159	5	109.4780	4.159	5	109.5076	3.696	10	109.7218	9.694	49	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	109.9153	0.126	3	112.6218	8.851	6	112.6218	8.851	6	112.6218	8.851	6	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	115.3235	0.523	2	112.6218	8.851	6	112.6218	8.851	6	112.6218	8.851	6	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	115.3380	0.000	1	112.6218	8.851	6	112.6218	8.851	6	112.6218	8.851	6	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:H-1:	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[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)	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	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>}	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H)	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	114.5443	20.758	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:H-1:	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[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H)	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	111.9145	0.139	2	111.9145	0.019	2	111.9145	0.019	2	114.5443	20.758	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3){1|O<2>,3|C<3>,5|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	114.8410	0.000	1	114.8410	0.000	1	114.8410	0.000	1	113.6600	2.790	2	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3){1|O<2>,3|C<3>,4|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	113.6600	2.790	2	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:2:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	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)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	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>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	109.4615	0.339	2	109.4615	0.115	2	109.4615	0.115	2	109.2157	1.679	4	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	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)	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	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>}	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	109.2157	1.679	4	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	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>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	109.2157	1.679	4	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	109.8020	0.000	1	107.5135	10.474	2	107.5135	10.474	2	108.2633	6.924	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	105.2250	0.000	1	107.5135	10.474	2	107.5135	10.474	2	108.2633	6.924	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	108.2633	6.924	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	114.9020	0.000	1	114.9020	0.000	1	114.9020	0.000	1	114.9020	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)	105.6870	0.000	1	105.6870	0.000	1	105.6870	0.000	1	105.6870	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:2:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:3:2:2:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	108.8500	0.573	3	108.8500	0.329	3	108.8500	0.329	3	108.8500	0.329	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	108.8017	0.539	3	108.8017	0.290	3	108.8017	0.290	3	110.1760	7.749	4	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2{1|F<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	110.1760	7.749	4	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.7995	0.076	2	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	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)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	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>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	110.7995	0.076	2	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:2:2:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	110.0790	0.410	2	110.0790	0.168	2	110.0790	0.168	2	110.0790	0.168	2	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	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)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	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>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[3,5]-4:C[6]-3:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H)	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H){2|H<1>,3|C<3>,6|C<4>}	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	107.2660	0.578	2	107.2660	0.335	2	107.2660	0.335	2	107.2660	0.335	2	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	108.5730	0.327	2	108.5730	0.107	2	108.5730	0.107	2	108.7030	0.104	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	108.7030	0.104	3	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	C[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)(CH3)2	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	C[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)(CH3)2{1|O<2>,3|C<4>,5|H<1>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	110.8350	0.764	2	110.8350	0.583	2	110.8350	0.583	2	108.3628	17.865	6	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	108.3628	17.865	6	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	108.3628	17.865	6	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,5|C<4>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	102.9805	0.046	2	102.9805	0.002	2	102.9805	0.002	2	108.3628	17.865	6	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[3x5]-4:C[6]-4:C-4:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3){1|B<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	110.5746	10.997	50	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	111.6631	5.788	10	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	112.8945	2.231	2	112.8945	4.977	2	112.8945	4.977	2	111.0787	5.491	8	111.6631	5.788	10	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	110.3490	2.670	4	110.6726	5.869	5	110.6726	5.869	5	111.0787	5.491	8	111.6631	5.788	10	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	111.9670	0.000	1	110.6726	5.869	5	110.6726	5.869	5	111.0787	5.491	8	111.6631	5.788	10	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	111.0787	5.491	8	111.6631	5.788	10	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	111.6631	5.788	10	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[3x5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){3|C<4>,3|H<1>,4|C<3>}	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	109.9910	0.000	1	109.9910	0.000	1	107.7750	9.821	2	107.7750	9.821	2	107.7750	9.821	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[3x5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){1|C<4>,3|C<3>,6|H<1>}	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	105.5590	0.000	1	105.5590	0.000	1	107.7750	9.821	2	107.7750	9.821	2	107.7750	9.821	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[3x5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:N[5,5]-3:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5])	O(C[5,6]C[3x5,6]C[5,5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	O(C[5,6]C[3x5,6]C[5,5,6]H)(H)	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	113.6170	6.994	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[3x5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	C[4x5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H)	O(C[5,6]C[3x5,6]C[5,6,6]H)(H)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	C[3x5,6](C[4x5,6,6]C[3x5,3x6]C[5,6]2)(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6,6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5,6]C[3x5,6]C[5,6,6]H)(H)	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	113.6170	6.994	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	O(C[5,6]C[5,3x6]C[5]N[6])(H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	O(C[5,6]C[5,3x6]C[5]N[6])(H)	111.4620	0.383	2	111.4620	0.147	2	111.4620	0.147	2	111.4620	0.147	2	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	106.1960	0.000	1	106.1960	0.000	1	108.3742	9.258	6	108.3742	9.258	6	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	106.1890	0.542	2	108.8098	10.149	5	108.3742	9.258	6	108.3742	9.258	6	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	109.7840	3.718	2	108.8098	10.149	5	108.3742	9.258	6	108.3742	9.258	6	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	112.1030	0.000	1	108.8098	10.149	5	108.3742	9.258	6	108.3742	9.258	6	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH)	O(C[5,6]C[5,3x6]C[5]C[6])(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|O<1>,4|C<4>,8|H<1>}	O(C[5,6]C[5,3x6]C[5]C[6])(H)	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	109.2455	1.849	2	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	109.2455	1.849	2	109.0939	6.270	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,3x6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,5,3x6]-4:O[5,6]-2:O-2:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	O(C[5,6]C[5,5,3x6]O[5,6]H)(H)	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H){2|H<1>,4|C<4>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	O(C[5,6]C[5,5,3x6]O[5,6]H)(H)	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:N[5,6]-3:O[6]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6])	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[5,6]C[5,5,6,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,5,6,6]C[5,6]H)(H)	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H){2|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	114.1470	0.000	1	114.1470	0.000	1	114.1470	0.000	1	114.1470	0.000	1	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:3:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:N[5]-3:	C[5,6]-4:C-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[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C)	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	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[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH){4|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	113.6965	1.737	2	113.6965	3.018	2	113.6965	3.018	2	114.6833	4.431	3	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	114.6833	4.431	3	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:2:2:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:O[5,6]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH)	C[5,5,6,6](C[5,5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6]){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]CO)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	113.6162	1.593	10	113.6162	2.539	10	113.6162	2.539	10	113.6162	2.539	10	113.1166	5.518	18	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:2:4:2:	4:4:4:2:	4:1:	C[5,5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH)	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	106.1655	2.515	2	106.1655	6.326	2	106.1655	6.326	2	106.1655	6.326	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:2:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[6]O[5])(H)	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H){1|H<1>,2|C<4>,2|O<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	113.1275	0.030	2	113.1275	0.001	2	113.1275	0.001	2	113.1275	0.001	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:3:2:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	118.3390	0.000	1	118.3390	0.000	1	118.3390	0.000	1	118.3390	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:3:2:	4:4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO)	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	114.3000	0.059	2	114.3000	0.004	2	114.3000	0.004	2	113.9607	0.347	3	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:3:2:	4:4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO)	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	113.2820	0.000	1	113.2820	0.000	1	113.2820	0.000	1	113.9607	0.347	3	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:4:2:	4:3:3:1:	4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	105.7170	1.252	3	105.7170	1.567	3	105.7170	1.567	3	105.7170	1.567	3	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,5|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	113.1430	0.102	2	113.1430	0.010	2	113.1430	0.010	2	113.1430	0.010	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:4:2:	4:4:3:2:	4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6,6a]O)(O[5]C[5]){2|C<3>,2|O<1>,4|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	114.9250	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:4:2:	4:4:4:3:	4:1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	109.5383	2.539	4	109.5383	6.448	4	109.5383	6.448	4	109.5383	6.448	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:4:2:	4:4:4:3:	4:4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,7|H<1>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	107.5910	0.000	1	107.6070	0.001	2	107.6070	0.001	2	107.6070	0.001	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:3:4:2:	4:4:4:3:	4:4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	107.6230	0.000	1	107.6070	0.001	2	107.6070	0.001	2	107.6070	0.001	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	3:4:2:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|H<1>,3|C<3>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	109.6510	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.7405	0.829	2	112.7405	0.688	2	112.7405	0.688	2	113.4480	1.846	3	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	113.4480	1.846	3	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:S[5,6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H){1|O<2>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:2:2:4:	4:1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H){1|H<1>,2|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:2:2:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH)	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH){1|C<4>,1|H<1>,1|O<2>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	112.3595	11.248	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:2:2:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<4>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3){1|C<4>,1|H<1>,1|O<2>}	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	112.3595	11.248	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:2:3:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.5455	3.916	4	110.5455	15.332	4	110.5455	15.332	4	110.5455	15.332	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:Cl-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl)	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	C[5,5,6](C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HO)(Cl){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	109.1890	0.000	2	109.1890	0.000	2	109.1890	0.000	2	109.1890	0.000	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	111.7640	0.000	1	111.7640	0.000	1	112.6600	4.080	3	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,4|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	114.9730	0.000	1	114.9730	0.000	1	112.6600	4.080	3	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	111.2430	0.000	1	111.2430	0.000	1	112.6600	4.080	3	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,5,6]2H)(H)	112.7780	0.000	1	112.7780	0.000	1	112.7780	0.000	1	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>}	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	116.4280	0.000	1	116.4280	0.000	1	112.6960	4.288	6	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.5450	0.000	1	110.5450	0.000	1	112.6960	4.288	6	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.6230	0.421	2	111.6230	0.178	2	112.6960	4.288	6	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.9785	0.496	2	112.9785	0.246	2	112.6960	4.288	6	112.5388	3.224	11	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:S-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	O(C[5,6]C[5,5,6]2H)(SCOO)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5,6]C[5,5,6]2H)(SCOO)	105.2990	0.000	1	105.2990	0.000	1	105.2990	0.000	1	111.0698	14.389	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	O(C[5,6]C[5,5,6]2H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H){2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O(C[5,6]C[5,5,6]2H)(CH3)	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	111.0698	14.389	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	115.6660	0.000	1	115.6660	0.000	1	115.6660	0.000	1	111.0698	14.389	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	110.8015	0.240	2	110.8015	0.057	2	110.8015	0.057	2	111.0698	14.389	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	O(C[5,6]C[5,5,6]2H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H){2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(CH3)	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	114.2848	0.806	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	114.1290	0.000	1	113.8510	0.081	3	113.8510	0.081	3	114.2848	0.806	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,6|H<1>}	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	113.7120	0.214	2	113.8510	0.081	3	113.8510	0.081	3	114.2848	0.806	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:3:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H){4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO){1|C<3>,1|C<4>,6|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.2090	0.211	2	111.2090	0.044	2	111.2090	0.044	2	111.2090	0.044	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:3:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	111.5957	2.833	4	111.5957	8.026	4	111.5957	8.026	4	111.5957	8.026	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.3190	0.069	3	112.3190	0.005	3	113.0190	1.963	4	113.0190	1.963	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H)	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|S<2>,2|F<1>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	115.1190	0.000	1	115.1190	0.000	1	113.0190	1.963	4	113.0190	1.963	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:S-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H)	O(C[5,6]C[5,5,6]2H)(SCOO)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]N[5,5]H)(OS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(SCOO)	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	110.5458	2.215	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	110.6602	1.693	4	110.6602	2.866	4	110.6602	2.866	4	110.5458	2.215	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.5420	1.730	4	111.5420	2.994	4	111.5420	2.994	4	111.5420	2.994	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H)	O(C[5,6]C[3x5,6]C[5,5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[3x5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[5,6]C[3x5,6]C[5,5,6]H)(H)	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H)	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,5,6,6]HO)(C[5,5]C[3x5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	112.5620	0.000	1	112.5620	0.000	1	109.7745	15.540	2	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	106.9870	0.000	1	106.9870	0.000	1	109.7745	15.540	2	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	112.9980	0.000	1	111.9415	2.232	2	111.9415	2.232	2	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6,6]HO)(H){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	110.8850	0.000	1	111.9415	2.232	2	111.9415	2.232	2	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.9505	1.163	2	110.9505	1.353	2	110.9505	1.353	2	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	113.8450	0.000	1	113.8223	5.199	3	112.6258	2.825	9	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(H){1|Br<1>,1|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	113.8110	3.224	2	113.8223	5.199	3	112.6258	2.825	9	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.1280	0.000	1	112.1280	0.000	1	112.6258	2.825	9	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|O<2>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.7383	0.579	3	112.7383	0.336	3	112.6258	2.825	9	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.1800	0.000	1	110.1800	0.000	1	112.6258	2.825	9	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.6420	0.000	1	111.6420	0.000	1	112.6258	2.825	9	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HO)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.4200	1.058	2	114.4200	1.119	2	114.4200	1.119	2	112.5614	4.889	19	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:N-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(NOO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<2>,1|C<3>,6|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(NOO)	105.9790	0.000	1	105.9790	0.000	1	105.9790	0.000	1	112.8863	21.276	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|N<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	115.1145	0.428	2	115.1145	0.183	2	115.1145	0.183	2	112.8863	21.276	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:S-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|Si<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]O)	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	112.8863	21.276	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	111.0230	0.668	2	111.0230	0.446	2	110.8513	0.311	3	110.8830	5.727	9	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H){2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|Pd<5>,2|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	110.5080	0.000	1	110.5080	0.000	1	110.8513	0.311	3	110.8830	5.727	9	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	109.5440	2.777	4	109.5440	7.713	4	110.8988	9.038	6	110.8830	5.727	9	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	113.6085	0.162	2	113.6085	0.026	2	110.8988	9.038	6	110.8830	5.727	9	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5])	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5]){4|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	114.2300	0.039	4	114.2300	0.002	4	114.2300	0.002	4	114.3114	0.034	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.3114	0.034	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H){2|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,3|C<4>,5|H<1>}	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH){1|C<3>,4|C<4>,6|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|C<4>,6|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	114.0240	0.000	1	114.0240	0.000	1	113.0165	2.030	2	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(H)	112.0090	0.000	1	112.0090	0.000	1	113.0165	2.030	2	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	115.2540	0.836	3	115.2540	0.699	3	114.4303	1.647	12	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.6790	0.000	1	112.6790	0.000	1	114.4303	1.647	12	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	115.1170	0.912	2	115.1170	0.832	2	114.4303	1.647	12	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.6757	0.964	3	114.6757	0.929	3	114.4303	1.647	12	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|N<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.4090	0.197	2	114.4090	0.039	2	114.4303	1.647	12	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|Se<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.6430	0.000	1	111.6430	0.000	1	114.4303	1.647	12	114.0444	2.234	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	109.0520	0.000	1	109.2373	0.485	3	109.2373	0.485	3	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OC[6])(H){3|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]2H)(C[6]C[6]2Cr)	109.3300	0.959	2	109.2373	0.485	3	109.2373	0.485	3	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN)	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	112.0320	1.239	4	112.0320	1.536	4	112.9963	3.117	7	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|S<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	114.2820	1.646	3	114.2820	2.709	3	112.9963	3.117	7	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]2Fe)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]2Fe)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(PC[5]OO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(PC[5]OO)	110.7250	0.375	2	110.7250	0.140	2	111.1588	1.652	6	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(PO3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(PO3)	111.7385	2.283	2	111.7385	5.213	2	111.1588	1.652	6	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	O(C[5,6]C[5,5,6]C[5,6]H)(POSS)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(POSS)	111.0130	1.348	2	111.0130	1.816	2	111.1588	1.652	6	111.4180	4.297	17	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]H)(H){4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H)	O(C[5,6]C[5,5,6]2O)(CH3)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]OO)(N[5]S[5]S)(H){2|O<1>,3|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]2O)(CH3)	110.1287	2.680	4	110.1287	7.183	4	110.1287	7.183	4	110.6114	6.552	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C-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[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H)	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	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[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,6|H<1>}	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	110.6114	6.552	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:3:3:	4:1:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	O(C[5,6]C[5,5,6]C[5]O[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH){1|H<1>,2|O<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	O(C[5,6]C[5,5,6]C[5]O[6])(H)	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	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[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[6]O[5])(H)	112.8377	2.279	4	112.8377	5.194	4	112.8377	5.194	4	112.8377	5.194	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H)	O(C[5,6]C[5,5,6]2O)(CH3)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[3x5,6]CC)(C[5,6]C[5,5,6]OO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[5,6]C[5,5,6]2O)(CH3)	112.1035	4.350	4	112.1035	18.922	4	112.1035	18.922	4	112.1035	18.922	4	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH)	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	108.7802	1.806	5	108.7802	3.262	5	108.7802	3.262	5	108.7802	3.262	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	111.1461	1.679	13	111.1461	2.818	13	111.1461	2.818	13	111.1461	2.818	13	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:2:4:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]2Cr)	103.4470	0.000	1	103.4470	0.000	1	103.4470	0.000	1	103.4470	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	3:4:4:4:	4:1:	C[5,5,6]-4:C[6]-4:N[5]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH)	O(C[5,6]C[5,5,6]C[6]N[5])(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[6]N[5])(H)	113.4440	3.121	2	113.4440	9.742	2	113.4440	9.742	2	113.4440	9.742	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:3:4:3:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:2:2:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5,6a])2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5,6a])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:3:2:	4:1:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH)	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5])	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:3:3:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	109.7990	0.000	1	109.7990	0.000	1	109.8180	0.001	2	109.8180	0.001	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	109.8370	0.000	1	109.8370	0.000	1	109.8180	0.001	2	109.8180	0.001	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	108.1440	0.000	1	108.1440	0.000	1	111.2388	6.713	9	109.7954	10.719	13	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	112.7540	4.277	2	112.7540	18.289	2	111.2388	6.713	9	109.7954	10.719	13	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	111.2495	2.061	6	111.2495	4.249	6	111.2388	6.713	9	109.7954	10.719	13	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	105.8440	0.107	2	106.5478	4.661	4	106.5478	4.661	4	109.7954	10.719	13	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	107.2515	3.463	2	106.5478	4.661	4	106.5478	4.661	4	109.7954	10.719	13	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:P-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	109.1335	1.464	2	109.1335	2.145	2	109.1335	2.145	2	109.1335	2.145	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(SiC3)	110.5530	0.257	2	110.5530	0.066	2	110.5530	0.066	2	110.1564	3.491	21	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC)	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC){2|N<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|N<2>,1|N<3>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	107.9785	0.343	2	107.9785	0.118	2	107.9785	0.118	2	110.1564	3.491	21	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6])	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6]){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(C[6]C[6]2Cr)	104.2920	0.000	1	104.2920	0.000	1	104.2920	0.000	1	110.1564	3.491	21	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:3:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCuHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCuHO)	110.7456	1.152	16	110.7456	1.326	16	110.7456	1.326	16	110.1564	3.491	21	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|C<4>,9|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:2:3:2:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:3:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	O(C[5,6]C[5,5,6]2C)(H)	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	111.4368	2.092	6	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:3:	4:1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){1|C<3>,2|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	111.0740	0.000	1	111.9312	0.782	5	111.9312	0.782	5	111.4368	2.092	6	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:2:3:	4:1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	112.1455	0.858	4	111.9312	0.782	5	111.9312	0.782	5	111.4368	2.092	6	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH)	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	O(C[5,6]C[5,5,6]2C)(H)	113.3500	0.445	2	113.3500	0.198	2	113.3500	0.198	2	113.3500	0.198	2	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H)	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CO)(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5,6]C[5,5,6]2C)(H)	105.8410	0.000	1	105.8410	0.000	1	105.8410	0.000	1	109.6826	5.036	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,2|C<4>,6|H<1>}	O(C[5,6]C[5,5,6]2C)(H)	110.1490	0.000	1	110.7715	0.775	2	110.7715	0.775	2	109.6826	5.036	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]2C)(H)	111.3940	0.000	1	110.7715	0.775	2	110.7715	0.775	2	109.6826	5.036	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,2|C<4>,6|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	111.1690	0.000	1	110.5145	0.857	2	110.5145	0.857	2	109.6826	5.036	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	109.8600	0.000	1	110.5145	0.857	2	110.5145	0.857	2	109.6826	5.036	5	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH)	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	109.4465	0.476	2	109.4465	0.226	2	109.4465	0.226	2	110.8457	8.729	7	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[4]-4:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH)	C[5,5,6](C[5,6]C[5,6]C[4]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[4])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH){4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]C[4]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Co<9>,2|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[4])(H)	108.0705	0.303	2	108.0705	0.092	2	108.0705	0.092	2	110.8457	8.729	7	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3,5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH)	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	114.8610	0.622	2	114.8610	0.387	2	114.8610	0.387	2	110.8457	8.729	7	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH)	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH){1|O<2>,5|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<4>,6|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	110.8457	8.729	7	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	103.2520	0.000	1	103.2520	0.000	1	103.2520	0.000	1	103.2520	0.000	1	111.4433	7.702	248	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	3:4:4:2:	4:4:2:1:	4:4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,5]-4:N[5]-2:H-1:	C[5,6]-4:Si-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H)	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:2:2:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH)	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	115.9380	0.000	1	115.9380	0.000	1	114.5274	6.010	5	114.5274	6.010	5	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:2:2:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH)	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	114.1748	2.680	4	114.1748	7.184	4	114.5274	6.010	5	114.5274	6.010	5	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]C[5]S[5]H)(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	104.7570	0.000	1	104.7570	0.000	1	104.7570	0.000	1	104.7570	0.000	1	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:4:2:	3:4:4:1:	4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	111.8809	14.435	12	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:2:4:2:	3:4:4:4:	4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:H-1:	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[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:2:4:2:	4:2:4:4:	4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6]-4:H-1:	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[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	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>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	110.0405	0.356	2	109.9213	0.106	3	109.9213	0.106	3	109.9213	0.106	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:2:4:2:	4:2:4:4:	4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6]-4:H-1:	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[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	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>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	109.6830	0.000	1	109.9213	0.106	3	109.9213	0.106	3	109.9213	0.106	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:2:4:2:	4:4:4:3:	4:1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH)	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){2|C<3>,4|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,2|C<3>,6|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	116.6080	0.000	1	116.6080	0.000	1	111.5475	51.217	2	109.3083	40.650	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	106.4870	0.000	1	106.4870	0.000	1	111.5475	51.217	2	109.3083	40.650	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H){1|Si<4>,1|O<1>,3|C<3>,4|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	104.8300	0.000	1	104.8300	0.000	1	104.8300	0.000	1	109.3083	40.650	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:2:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	115.5593	1.399	3	115.5593	1.957	3	115.5593	1.957	3	115.5593	1.957	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:2:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH){1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:3:2:	3:4:4:4:	4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:3:2:	4:4:4:2:	4:4:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6]-4:Si-4:	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6])	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	114.6165	0.378	2	114.6165	0.143	2	114.6165	0.143	2	114.6165	0.143	2	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	O(C[5,6]C[5,6,6]C[5,6a]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6a]C[6])(H)	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:3:4:2:	4:4:4:2:	4:4:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6])	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	108.3995	0.135	2	108.3995	0.018	2	108.3995	0.018	2	108.3995	0.018	2	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	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])	O(C[5,6]C[5,6,6]2H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	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>}	O(C[5,6]C[5,6,6]2H)(H)	120.0500	0.000	1	120.0500	0.000	1	120.0500	0.000	1	120.0500	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H){1|H<1>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH){4|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	C[3x5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H)	O(C[5,6]C[3x5,6]C[5,6,6]H)(H)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[3x5,6]C[5,6,6]H)(H)	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	113.5928	4.192	10	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	114.4445	0.716	4	114.4445	0.513	4	114.4445	0.513	4	113.5928	4.192	10	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	113.5928	4.192	10	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	111.6730	1.530	2	111.6730	2.341	2	112.5670	3.568	3	113.5928	4.192	10	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	114.3550	0.000	1	114.3550	0.000	1	112.5670	3.568	3	113.5928	4.192	10	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H){3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	113.5928	4.192	10	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	110.5360	0.820	2	110.5360	0.673	2	110.7593	0.486	3	110.3107	1.129	4	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	111.2060	0.000	1	111.2060	0.000	1	110.7593	0.486	3	110.3107	1.129	4	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	110.3107	1.129	4	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	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>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	115.0300	0.000	1	115.0300	0.000	1	115.0300	0.000	1	113.3573	7.778	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	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>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	110.1990	0.559	2	110.1990	0.312	2	113.5198	9.390	5	113.3573	7.778	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	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>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	115.7337	0.494	3	115.7337	0.244	3	113.5198	9.390	5	113.3573	7.778	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	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>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	113.3573	7.778	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<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]){3|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	111.2157	3.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5])	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5]){1|O<1>,4|H<1>,4|O<2>,5|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	112.4415	0.412	2	112.4415	0.170	2	112.4415	0.170	2	111.2157	3.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<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]){3|O<2>,4|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	112.2460	0.078	2	112.2460	0.006	2	112.2460	0.006	2	111.2157	3.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	111.2157	3.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	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])	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<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]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	111.2157	3.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,5|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	113.2105	0.678	2	113.2105	0.460	2	113.2105	0.460	2	111.5408	3.529	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	108.9330	0.000	1	110.4277	2.182	3	110.4277	2.182	3	111.5408	3.529	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	111.1750	1.007	2	110.4277	2.182	3	110.4277	2.182	3	111.5408	3.529	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	109.0300	0.000	1	110.8170	6.387	2	110.8170	6.387	2	110.5210	3.695	6	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	112.6040	0.000	1	110.8170	6.387	2	110.8170	6.387	2	110.5210	3.695	6	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	O(C[5,6]C[5,6,6]2H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]2H)(H)	111.0070	0.987	2	111.0070	0.974	2	111.0070	0.974	2	110.5210	3.695	6	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	110.5210	3.695	6	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	110.5210	3.695	6	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	110.9625	0.631	2	111.6980	0.878	4	111.6980	0.878	4	110.7988	4.701	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	112.4335	0.267	2	111.6980	0.878	4	111.6980	0.878	4	110.7988	4.701	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:S-4:	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH)	O(C[5,6]C[5,6,6]C[5,6]H)(SCOO)	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H){2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH){2|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(SCOO)	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	110.7988	4.701	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	3:4:4:3:	4:1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[5]O[6])(H)	113.7680	5.470	2	113.1073	16.271	3	113.1073	16.271	3	113.1073	16.271	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	3:4:4:3:	4:1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]C[5]O[6])(H)	111.7860	0.000	1	113.1073	16.271	3	113.1073	16.271	3	113.1073	16.271	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:4:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:H-1:	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[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)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,5|C<4>}	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>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	114.2535	0.111	2	114.2535	0.012	2	114.2535	0.012	2	114.2535	0.012	2	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C-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[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	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[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	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[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	117.6080	0.000	1	117.6080	0.000	1	118.0500	0.391	2	114.6119	9.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	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[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	118.4920	0.000	1	118.4920	0.000	1	118.0500	0.391	2	114.6119	9.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	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[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	113.1790	0.000	1	113.1790	0.000	1	113.2366	6.447	5	114.6119	9.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	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[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	113.2510	2.932	4	113.2510	8.594	4	113.2366	6.447	5	114.6119	9.879	7	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	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[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	114.9605	2.674	2	114.9605	7.148	2	114.9605	7.148	2	114.9605	7.148	2	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	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[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	107.8465	2.034	2	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	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[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	107.8465	2.034	2	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:3:2:	4:4:3:3:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[6,6]-4:C[5,6]-4:C[6,6]-3:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	109.6797	2.475	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	109.6797	2.475	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3){1|O<1>,1|S<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	109.6797	2.475	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C-4:O-2:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	O(C[5,6]C[5,6,6]C[5,6]C)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[5,6]C[5,6,6]C[5,6]C)(H)	109.5720	1.843	3	109.5720	3.398	3	109.5720	3.398	3	109.5720	3.398	3	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:2:4:3:	4:1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	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)	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	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>}	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	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)	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	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>}	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	107.4825	1.073	4	107.4914	0.865	5	107.4914	0.865	5	107.4914	0.865	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	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)	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	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>}	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	107.5270	0.000	1	107.4914	0.865	5	107.4914	0.865	5	107.4914	0.865	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	108.5694	4.385	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.5694	4.385	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	108.5694	4.385	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	105.9780	0.000	1	105.9780	0.000	1	108.3895	11.631	2	108.5694	4.385	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.8010	0.000	1	110.8010	0.000	1	108.3895	11.631	2	108.5694	4.385	5	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	106.4420	0.000	1	106.4420	0.000	1	106.4420	0.000	1	109.9518	9.105	8	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){10|H<1>,1|O<2>,2|C<3>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.5300	0.000	1	112.5693	3.183	3	112.5693	3.183	3	109.9518	9.105	8	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	113.5890	0.356	2	112.5693	3.183	3	112.5693	3.183	3	109.9518	9.105	8	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	109.7050	2.381	3	109.7050	5.668	3	109.7050	5.668	3	109.9518	9.105	8	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	106.3490	0.000	1	106.3490	0.000	1	106.3490	0.000	1	109.9518	9.105	8	111.3746	10.195	114	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	O(C[5,6]C[5,6a]C[5,6]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	O(C[5,6]C[5,6a]C[5,6]O[6])(H)	110.1580	0.847	2	110.1580	0.718	2	110.1580	0.718	2	110.1580	0.718	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:2:2:	4:4:4:2:	4:1:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH)	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH){2|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	3:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	109.8830	24.040	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	3:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	109.8830	24.040	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:3:3:2:	4:1:	C[6,6a]-3:C[5,6]-4:N[5]-3:O-2:	C[5,6]-4:C[6,6]-3:N[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH)	O(C[5,6]C[6,6a]C[5,6]N[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[5,6]C[6,6a]C[5,6]N[5])(H)	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:3:4:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:2:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	O(C[5,6]C[5,6a]C[5,6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	O(C[5,6]C[5,6a]C[5,6]N[6])(H)	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:3:3:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH){4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,6|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	104.3530	0.000	1	104.3530	0.000	1	104.3530	0.000	1	104.3530	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:3:4:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3){1|O<1>,4|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	104.7280	0.000	1	104.7280	0.000	1	104.7280	0.000	1	108.7930	33.048	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:4:1:	4:1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	O(C[5,6]C[5,6]N[6,6]C[5])(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	O(C[5,6]C[5,6]N[6,6]C[5])(H)	112.8580	0.000	1	112.8580	0.000	1	112.8580	0.000	1	108.7930	33.048	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:4:1:	4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:4:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:Si-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	109.6180	0.590	2	109.2710	0.535	3	109.2710	0.535	3	109.2710	0.535	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:3:2:	4:4:4:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:Si-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	108.5770	0.000	1	109.2710	0.535	3	109.2710	0.535	3	109.2710	0.535	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:3:4:4:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	107.9735	1.527	2	107.9735	2.331	2	107.9735	2.331	2	107.9735	2.331	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	112.5890	0.000	1	112.5890	0.000	1	112.5890	0.000	1	113.9535	3.724	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	113.9535	3.724	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	108.1430	1.997	2	108.1430	3.987	2	108.1430	3.987	2	108.1430	3.987	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH)	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H)	O(C[5,6]C[5,6,6a]C[5,6]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6,6a]C[5,6]C[5])(H)	103.9240	0.000	1	103.9240	0.000	1	103.9240	0.000	1	108.9174	19.271	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	108.9174	19.271	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	105.1535	0.298	2	110.3723	16.660	6	110.3723	16.660	6	108.9174	19.271	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	112.9818	0.708	4	110.3723	16.660	6	110.3723	16.660	6	108.9174	19.271	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	107.2600	2.668	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:1:	4:4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	107.2600	2.668	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:4:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	111.0430	0.000	1	111.0430	0.000	1	111.0430	0.000	1	108.3165	14.868	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:4:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<3>,4|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	105.5900	0.000	1	105.5900	0.000	1	105.5900	0.000	1	108.3165	14.868	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:3:4:	4:4:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3)	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	O(C[5,6]C[6,6a]C[5,6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(H)	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.2280	0.228	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	108.2280	0.228	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:4:1:	4:4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:Si-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	O(C[5,6]C[5,6]2C[5])(H)	113.4150	0.000	1	113.4150	0.000	1	113.4150	0.000	1	113.4150	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.4860	0.000	1	107.4860	0.000	1	107.5713	1.723	6	107.3121	1.906	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.5884	1.467	5	107.5884	2.152	5	107.5713	1.723	6	107.3121	1.906	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	O(C[5,6]C[6,6a]C[5,6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	O(C[5,6]C[6,6a]C[5,6]2)(H)	105.7570	0.000	1	105.7570	0.000	1	105.7570	0.000	1	107.3121	1.906	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:2:3:2:	3:3:4:4:	4:1:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	O(C[5,6]C[5,6]C[6]O[5])(H)	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:2:3:2:	4:4:3:4:	4:1:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH)	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH){1|O<1>,5|C<3>}	O(C[5,6]C[5,6]C[5]O[6])(H)	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H)	O(C[5,6]C[5,6]O[5,6]C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]O[5,6]C[5])(H)	109.0270	0.000	2	109.0270	0.000	2	109.0270	0.000	2	109.0270	0.000	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:2:2:	4:3:2:4:	4:1:	C[5,6]-4:C[6]-3:N[5]-2:O-2:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3)	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH){1|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[6]N[5])(H)	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:2:2:	4:3:4:1:	4:1:	C[5,6]-4:N[5,6]-3:O[5]-2:O-2:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]N[5,6]O[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]N[5,6]O[5])(H)	110.4700	1.827	2	110.4700	3.339	2	110.4700	3.339	2	110.4700	3.339	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:2:2:	4:4:2:2:	4:1:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH)	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,6]2O[5])(H)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:2:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5])	O(C[5,6]C[5,6]2O[6])(H)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	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>}	O(C[5,6]C[5,6]2O[6])(H)	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	3:3:4:3:	4:1:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2)	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|F<1>,8|C<3>}	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	3:4:3:2:	4:1:	C[5,6]-4:C[6,6]-3:N[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:N[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH)	O(C[5,6]C[5,6]C[6,6]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6]C[6,6]N[5])(H)	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:2:3:4:	4:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:3:3:2:	4:1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH)	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	106.7755	0.435	2	106.7755	0.189	2	106.7755	0.189	2	106.7755	0.189	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:3:4:3:	4:1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	O(C[5,6]C[5,6a]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	O(C[5,6]C[5,6a]C[5,6]2)(H)	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:4:2:	3:4:4:1:	4:4:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	102.6740	0.000	1	102.6740	0.000	1	102.6740	0.000	1	102.6740	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:4:2:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:4:2:	4:4:2:4:	4:1:	C[5,6]-4:N[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:S[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3)	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|O<1>,1|S<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3){1|S<1>,4|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[6]N[5])(H)	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.6120	1.426	2	109.6120	2.032	2	109.6120	2.032	2	109.6120	2.032	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:3:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.7500	0.088	2	111.7500	0.008	2	111.7500	0.008	2	111.7500	0.008	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6]2H)(H)	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	3:4:3:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5,6]C[5,6]2H)(H)	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	O(C[5,6]C[5,6]2H)(H)	110.2830	1.076	2	110.2830	1.158	2	110.2830	1.158	2	110.2830	1.158	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:S[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H){1|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	114.0720	2.960	3	114.0720	8.762	3	114.0720	8.762	3	114.0720	8.762	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:3:2:2:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC)	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC){2|H<1>,3|C<4>}	O(C[5,6]C[5,6]2H)(CHHO)	109.3440	0.000	1	109.3440	0.000	1	109.3440	0.000	1	109.3440	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	O(C[5,6]C[5,6]2H)(H)	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,4x5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2	O(C[5,6]C[4,4x5,6]C[5,6]H)(H)	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[4,4x5,6]C[5,6]H)(H)	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H){4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.7450	0.117	2	114.7450	0.014	2	114.7450	0.014	2	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<2>,1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	109.6290	0.000	1	109.9730	5.744	3	109.7353	4.055	4	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.1450	3.363	2	109.9730	5.744	3	109.7353	4.055	4	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	109.0220	0.000	1	109.0220	0.000	1	109.7353	4.055	4	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.3498	1.978	4	110.5677	2.835	9	110.2938	2.729	12	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	109.9420	1.279	5	110.5677	2.835	9	110.2938	2.729	12	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	108.4710	0.000	1	108.4710	0.000	1	110.2938	2.729	12	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<4>,1|P<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,1|P<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.2250	0.000	1	111.2250	0.000	1	110.2938	2.729	12	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	108.7200	0.000	1	108.7200	0.000	1	110.2938	2.729	12	110.7309	4.563	19	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(NOO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(ON)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(NOO)	113.4090	0.000	1	113.4090	0.000	1	110.1535	21.197	2	110.1535	21.197	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(ON)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(NPdC)	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(ON)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(NPdC)	106.8980	0.000	1	106.8980	0.000	1	110.1535	21.197	2	110.1535	21.197	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	112.9567	0.637	4	112.9567	0.406	4	113.5382	1.055	6	113.5382	1.055	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	114.7010	0.000	2	114.7010	0.000	2	113.5382	1.055	6	113.5382	1.055	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.4730	4.322	2	111.4730	18.678	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	115.0070	0.231	2	115.0070	0.053	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.3060	0.000	1	113.4225	2.493	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	114.5390	0.000	1	113.4225	2.493	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.7265	3.369	2	110.7265	11.353	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.4665	0.299	2	112.4665	0.089	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.6280	0.358	2	110.6280	0.128	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	113.2545	0.090	2	113.2545	0.008	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.3480	0.393	2	112.3480	0.155	2	112.4158	4.247	16	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(SC[6a])(H){2|C<4>,2|F<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	109.4250	0.000	1	109.4250	0.000	1	113.1030	10.146	3	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	O(C[5,6]C[5,6]2H)(H)	114.9420	0.000	2	114.9420	0.000	2	113.1030	10.146	3	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	O(C[5,6]C[5,6]2H)(H)	117.6030	0.000	1	117.6030	0.000	1	117.6030	0.000	1	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	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>}	O(C[5,6]C[5,6]2H)(H)	111.8460	0.000	1	111.8460	0.000	1	112.7060	12.582	5	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	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>}	O(C[5,6]C[5,6]2H)(H)	112.9773	4.968	3	112.9773	24.682	3	112.7060	12.582	5	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	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>}	O(C[5,6]C[5,6]2H)(H)	112.7520	0.000	1	112.7520	0.000	1	112.7060	12.582	5	112.5806	7.722	28	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	111.1347	3.445	4	111.1347	11.868	4	110.4282	5.699	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	109.9515	0.474	2	109.9515	0.225	2	110.4282	5.699	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	109.8930	0.000	1	109.8930	0.000	1	110.4282	5.699	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|O<2>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<4>,1|O<2>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	111.5110	0.000	1	111.5110	0.000	1	110.4282	5.699	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	108.0080	0.000	1	108.0080	0.000	1	110.4282	5.699	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	110.6915	0.129	2	110.6915	0.017	2	110.8837	0.119	3	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<4>,1|O<2>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|O<2>}	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	111.2680	0.000	1	111.2680	0.000	1	110.8837	0.119	3	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	108.2690	1.107	4	108.2690	1.225	4	108.2690	1.225	4	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S-4:	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	O(C[5,6]C[5,6,6]C[5,6]H)(SCOO)	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H){2|O<2>,3|C<4>,5|H<1>}	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>}	O(C[5,6]C[5,6,6]C[5,6]H)(SCOO)	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	O(C[5,6]C[5,6]2H)(CC3)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(CC3)	109.6962	3.135	4	109.6962	9.826	4	111.0757	5.452	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5,6]C[5,6]2H)(CC[6a]HH)	112.4210	0.000	1	112.1792	0.110	5	111.0757	5.452	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5,6]C[5,6]2H)(CC[6a]HH)	112.1188	0.350	4	112.1792	0.110	5	111.0757	5.452	9	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	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>}	O(C[5,6]C[5,6]2H)(CC[6a]HH)	115.5120	0.000	1	115.5120	0.000	1	117.8566	2.686	5	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	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>}	O(C[5,6]C[5,6]2H)(CC[6a]HH)	118.4428	1.136	4	118.4428	1.291	4	117.8566	2.686	5	111.5442	11.737	32	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-2:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC)	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(CHHO)	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3){3|H<1>,6|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	112.0915	1.927	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	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>}	O(C[5,6]C[5,6]2H)(H)	114.5530	0.000	1	114.5530	0.000	1	112.1592	2.374	5	112.0915	1.927	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	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>}	O(C[5,6]C[5,6]2H)(H)	110.9400	0.000	2	110.9400	0.000	2	112.1592	2.374	5	112.0915	1.927	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	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>}	O(C[5,6]C[5,6]2H)(H)	111.5520	0.000	1	111.5520	0.000	1	112.1592	2.374	5	112.0915	1.927	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	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>}	O(C[5,6]C[5,6]2H)(H)	112.8110	0.000	1	112.8110	0.000	1	112.1592	2.374	5	112.0915	1.927	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	111.8000	0.000	1	110.7777	3.014	6	110.0871	5.849	7	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	110.4137	2.106	4	110.7777	3.014	6	110.0871	5.849	7	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	111.2110	0.000	1	110.7777	3.014	6	110.0871	5.849	7	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H)	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,3x6]C[5,6]H)(H)	105.9440	0.000	1	105.9440	0.000	1	110.0871	5.849	7	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H){1|C<4>,2|C<3>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NCH)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	111.9910	0.091	2	111.9910	0.008	2	111.9910	0.008	2	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Se-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SeCC)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	113.8510	1.249	2	113.8510	1.559	2	113.8510	1.559	2	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	114.3110	0.318	2	114.3110	0.101	2	111.0250	7.623	6	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	110.8920	0.000	1	109.3820	1.873	4	111.0250	7.623	6	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	108.6905	1.538	2	109.3820	1.873	4	111.0250	7.623	6	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	109.2550	0.000	1	109.3820	1.873	4	111.0250	7.623	6	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HO)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	119.1610	0.786	4	119.1610	0.617	4	119.1610	0.617	4	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	107.7000	0.824	2	107.7000	0.680	2	109.8840	14.649	3	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	O(C[5,6]C[5,6]2H)(H)	114.2520	0.000	1	114.2520	0.000	1	109.8840	14.649	3	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	111.9725	0.030	2	112.0387	0.014	3	112.0387	0.014	3	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.1710	0.000	1	112.0387	0.014	3	112.0387	0.014	3	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.2685	1.036	2	112.2685	1.073	2	111.2213	3.826	3	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|O<2>}	O(C[5,6]C[5,6]2H)(H)	109.1270	0.000	1	109.1270	0.000	1	111.2213	3.826	3	111.9791	12.000	33	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:N[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(NOO)(H){1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	107.4155	0.112	2	107.4155	0.013	2	107.4155	0.013	2	107.4155	0.013	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	110.3845	0.053	2	110.3845	0.003	2	110.7670	0.440	3	111.1628	6.238	9	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	111.5320	0.000	1	111.5320	0.000	1	110.7670	0.440	3	111.1628	6.238	9	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H)	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(CH3)	115.7030	0.000	1	115.7030	0.000	1	115.7030	0.000	1	111.1628	6.238	9	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(CHHO)	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	111.1628	6.238	9	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H)	O(C[5,6]C[5,6]2H)(CC3)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	O(C[5,6]C[5,6]2H)(CC3)	110.4638	2.926	4	110.4638	8.559	4	110.4638	8.559	4	111.1628	6.238	9	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	112.1160	0.000	1	112.1160	0.000	1	112.1160	0.000	1	112.5784	4.227	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	O(C[5,6]C[5,6]2H)(H)	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	112.5784	4.227	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	O(C[5,6]C[5,6]2H)(H)	110.7795	1.278	2	110.7795	1.633	2	110.7795	1.633	2	112.5784	4.227	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	112.5784	4.227	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	109.2970	0.000	1	109.2970	0.000	1	112.1470	16.245	2	110.7292	8.765	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	114.9970	0.000	1	114.9970	0.000	1	112.1470	16.245	2	110.7292	8.765	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	110.7292	8.765	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH){2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	108.3655	0.209	2	108.3655	0.044	2	108.3655	0.044	2	110.7292	8.765	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	O(C[5,6]C[4,5,6]C[5,6]H)(H)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	O(C[5,6]C[4,5,6]C[5,6]H)(H)	110.9753	1.810	3	110.9753	3.275	3	110.9753	3.275	3	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,5,6,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6,6]C[5,6]H)(H)	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	110.3890	0.066	2	110.3890	0.004	2	109.5898	0.507	6	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	109.7790	0.000	1	109.7790	0.000	1	109.5898	0.507	6	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(CC3)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(H)	108.9940	0.275	3	108.9940	0.076	3	109.5898	0.507	6	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H){1|H<1>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	114.2360	0.000	1	114.2360	0.000	1	114.2360	0.000	1	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	114.6760	0.000	1	114.6760	0.000	1	114.4774	2.641	9	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	116.4365	1.845	2	116.4365	3.403	2	114.4774	2.641	9	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	111.9910	0.000	1	111.9910	0.000	1	114.4774	2.641	9	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	113.4930	0.145	3	114.1514	0.825	5	114.4774	2.641	9	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	115.1390	0.075	2	114.1514	0.825	5	114.4774	2.641	9	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H){1|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	115.5140	0.000	1	115.5140	0.000	1	113.6556	2.109	8	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	113.1860	0.000	1	112.9780	0.658	5	113.6556	2.109	8	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	113.2725	0.436	2	112.9780	0.658	5	113.6556	2.109	8	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.5795	1.381	2	112.9780	0.658	5	113.6556	2.109	8	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	116.0350	0.000	1	116.0350	0.000	1	113.6556	2.109	8	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.8060	0.000	1	112.8060	0.000	1	113.6556	2.109	8	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	112.9041	6.941	30	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:S-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	O(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]O)	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	116.9540	0.132	2	116.9147	0.013	3	116.6613	3.428	6	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	116.8360	0.000	1	116.9147	0.013	3	116.6613	3.428	6	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	118.3790	0.000	1	118.3790	0.000	1	116.6613	3.428	6	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	117.7570	0.000	1	117.7570	0.000	1	116.6613	3.428	6	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	113.0880	0.000	1	113.0880	0.000	1	116.6613	3.428	6	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	113.9370	0.000	1	113.9370	0.000	1	113.9246	0.450	5	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	113.6760	0.219	2	113.6760	0.048	2	113.9246	0.450	5	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	114.1670	1.229	2	114.1670	1.510	2	113.9246	0.450	5	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	O(C[5,6]C[5,6]2H)(CH3)	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	O(C[5,6]C[5,6]2H)(CHHO)	115.1850	0.000	1	115.1850	0.000	1	113.8560	6.260	3	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[5,6]C[5,6]2H)(CHHO)	115.4130	0.000	1	115.4130	0.000	1	113.8560	6.260	3	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[5,6]C[5,6]2H)(CH3)	110.9700	0.000	1	110.9700	0.000	1	113.8560	6.260	3	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(CH3)	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	115.2009	5.589	16	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5,6]H)(H)	117.7505	2.261	2	117.7505	5.110	2	117.7505	5.110	2	115.9720	12.044	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	115.9720	12.044	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	112.2940	0.683	2	110.5082	6.347	6	110.5082	6.347	6	110.5082	6.347	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	107.8485	0.255	2	110.5082	6.347	6	110.5082	6.347	6	110.5082	6.347	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(H)	111.3820	3.025	2	110.5082	6.347	6	110.5082	6.347	6	110.5082	6.347	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]2Fe)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OC[5])(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]2Fe)	115.2800	0.000	1	115.2800	0.000	1	115.2800	0.000	1	112.7738	6.013	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]H)(PC[5]OO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(PC[5]OO)	114.0445	0.862	2	114.0445	0.743	2	113.2517	1.112	6	112.7738	6.013	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]H)(PO3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(PO3)	112.6485	1.600	2	112.6485	2.561	2	113.2517	1.112	6	112.7738	6.013	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]H)(POSS)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(OP)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(POSS)	113.0620	0.445	2	113.0620	0.198	2	113.2517	1.112	6	112.7738	6.013	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	O(C[5,6]C[5,6]2H)(CHHO)	107.4000	0.000	1	107.4000	0.000	1	107.4000	0.000	1	112.7738	6.013	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	3:4:4:3:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO)	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(H)	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:3:2:2:	4:1:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6]2O[5])(H)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:3:3:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]2O[5])(CCCH)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5,5,6]O)(C[5]C[5]H)(H){2|H<1>,4|C<4>}	O(C[5,6]C[5,6]2O[5])(CCCH)	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]2O)(H)	110.8190	1.414	2	110.8190	2.000	2	110.8190	2.000	2	110.8190	2.000	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:3:4:2:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	109.7185	1.834	14	109.7185	3.363	14	109.5998	3.335	15	110.1543	5.270	18	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	107.9380	0.000	1	107.9380	0.000	1	109.5998	3.335	15	110.1543	5.270	18	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(H)	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	110.1543	5.270	18	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2{2|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(H)	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	110.1543	5.270	18	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2{1|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	110.1543	5.270	18	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	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[5]-4:O[6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	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[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	105.4130	0.000	1	105.4130	0.000	1	104.6485	1.169	2	104.6485	1.169	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	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[5]-4:O[6]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	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[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	103.8840	0.000	1	103.8840	0.000	1	104.6485	1.169	2	104.6485	1.169	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	O(C[5,6]C[5,6]2O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[5,6]C[5,6]2O)(H)	111.7950	4.416	4	111.7950	19.501	4	111.7950	19.501	4	111.3160	10.131	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H)	O(C[5,6]C[5,6]2O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5,6]C[5,6]2O)(H)	110.8275	0.091	2	110.8275	0.008	2	110.8275	0.008	2	111.3160	10.131	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	O(C[5,6]C[5,6]2O[5])(H)	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	111.3160	10.131	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]2O)(CH3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[5,6]C[5,6]2O)(CH3)	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H)	O(C[5,6]C[5,6]2O)(SiC3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[5,6]C[5,6]2O)(SiC3)	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	106.2770	0.000	1	106.2770	0.000	1	109.4681	15.179	7	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<2>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	108.0640	0.000	1	111.3923	17.290	4	109.4681	15.179	7	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	114.9875	0.153	2	111.3923	17.290	4	109.4681	15.179	7	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	107.5300	0.000	1	111.3923	17.290	4	109.4681	15.179	7	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	108.6410	0.000	1	108.6410	0.000	1	109.4681	15.179	7	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|S<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	105.7900	0.000	1	105.7900	0.000	1	109.4681	15.179	7	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C-4:	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[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H)	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	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[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	109.3220	14.622	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	107.1810	0.000	1	107.1810	0.000	1	109.7220	12.913	2	109.7220	12.913	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH){1|C<4>,1|S<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH){1|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	112.2630	0.000	1	112.2630	0.000	1	109.7220	12.913	2	109.7220	12.913	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	113.8865	4.170	2	113.8865	17.387	2	113.8865	17.387	2	114.1073	8.840	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	114.5490	0.000	1	114.5490	0.000	1	114.5490	0.000	1	114.1073	8.840	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6]2O)(CH3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2O)(CH3)	106.3540	0.000	1	106.3540	0.000	1	106.3540	0.000	1	107.7968	20.923	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6]2O)(SiC3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]2O)(SiC3)	114.8410	0.000	1	114.8410	0.000	1	114.8410	0.000	1	107.7968	20.923	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC)	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]2O[5])(CCCH)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]O[5]O)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	O(C[5,6]C[5,6]2O[5])(CCCH)	104.1720	0.000	1	104.1720	0.000	1	104.1720	0.000	1	107.7968	20.923	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	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[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	107.7968	20.923	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	O(C[5,6]C[5,6]C[6]O[5])(CH3)	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[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(CH3)	103.9020	0.000	1	103.9020	0.000	1	103.9020	0.000	1	107.7968	20.923	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[6]O[5])(H)	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	110.5625	9.267	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:S-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	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>}	O(C[5,6]C[5,6]C[6]O[5])(H)	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	110.5625	9.267	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:2:4:	3:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O-2:C-4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]2Cr)	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	3:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H)	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,7|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	111.8420	0.000	1	111.8420	0.000	1	111.8420	0.000	1	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	111.2400	0.000	1	111.2400	0.000	1	111.0372	8.320	10	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	110.4010	4.504	2	110.4010	20.288	2	111.0372	8.320	10	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	111.6415	3.001	6	111.6415	9.004	6	111.0372	8.320	10	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<4>,5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	108.4810	0.000	1	108.4810	0.000	1	111.0372	8.320	10	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH)	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.2290	2.613	2	112.2290	6.830	2	112.2290	6.830	2	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.3370	2.823	2	113.3370	7.968	2	113.3370	7.968	2	111.9848	7.694	17	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(SiC3)	113.5300	0.071	2	113.5300	0.005	2	113.5300	0.005	2	114.3121	5.086	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC){2|N<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	114.5465	1.085	2	114.5465	1.178	2	114.5465	1.178	2	114.3121	5.086	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2	O(C[5,6]C[5,5,6]C[5,6]C[6a])(C[6]C[6]2Cr)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6]){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(C[6]C[6]2Cr)	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	114.3121	5.086	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	118.0510	0.000	1	118.0510	0.000	1	118.0510	0.000	1	114.3121	5.086	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	114.3121	5.086	7	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H)	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H){3|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	112.2462	8.742	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,6]2C[5])(H)	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	112.2462	8.742	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	112.2462	8.742	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	112.2462	8.742	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	112.2462	8.742	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:2:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	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)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	110.1915	0.146	4	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	O(C[5,6]C[5,6]2C)(H)	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	110.1915	0.146	4	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.1915	0.146	4	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.1915	0.146	4	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:3:4:	4:4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO){1|C<3>,1|O<1>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[5,6]C[5,6]2C)(H)	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH){3|H<1>,6|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.5140	0.000	1	107.5140	0.000	1	109.0515	4.728	2	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.5890	0.000	1	110.5890	0.000	1	109.0515	4.728	2	109.1801	6.156	8	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.6735	0.125	2	109.6735	0.016	2	109.6735	0.016	2	109.6918	0.241	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.3830	0.000	1	110.3830	0.000	1	109.7040	0.474	3	109.6918	0.241	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.0060	0.000	1	109.0060	0.000	1	109.7040	0.474	3	109.6918	0.241	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.7230	0.000	1	109.7230	0.000	1	109.7040	0.474	3	109.6918	0.241	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3)	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5,6]C[3,5]C[5,6]C[6])(H)	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	113.5465	0.687	2	111.9278	7.104	4	111.9278	7.104	4	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	110.3090	3.219	2	111.9278	7.104	4	111.9278	7.104	4	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH)	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]O)(C[5]O[5]HH)(CH3)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]O)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]2C[5])(H)	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.9136	3.581	10	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:P-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	107.2335	3.473	2	107.2335	12.059	2	107.2335	12.059	2	107.2335	12.059	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCuHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCuHO)	105.6619	0.807	14	105.6619	0.651	14	105.6619	0.651	14	105.5715	0.727	15	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	104.3060	0.000	1	104.3060	0.000	1	104.3060	0.000	1	105.5715	0.727	15	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	3:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]2C)(CH3)	113.7190	0.000	1	113.7190	0.000	1	113.7190	0.000	1	113.7190	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	3:4:2:2:	4:1:	C[3,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:H-1:	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	O(C[5,6]C[3,6]C[5,6]C[5])(H)	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[3,6]C[5,6]C[5])(H)	105.0280	0.000	1	105.0280	0.000	1	105.0280	0.000	1	105.0280	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C-4:O-2:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH)	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H)	O(C[5,6]C[5,6,6]C[5,6]C)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6,6]C[5,6]C)(H)	109.1147	3.338	3	109.1147	11.144	3	109.1147	11.144	3	109.1147	11.144	3	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	3:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]2C)(CH3)	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	N[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.7125	0.067	2	110.7125	0.005	2	110.7125	0.005	2	110.7125	0.005	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:2:2:4:	4:1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH)	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3)	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3){2|H<1>,4|C<4>}	O(C[5,6]C[5,6]2C)(H)	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.1560	3.298	2	109.1560	10.876	2	109.1560	10.876	2	109.1560	10.876	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:3:4:2:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.6045	0.337	2	110.6045	0.114	2	110.6045	0.114	2	110.6045	0.114	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH){2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[5,6]C[3,5]C[5,6]C[6])(H)	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH)	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(H)	110.1470	1.123	2	110.1470	1.261	2	110.1470	1.261	2	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[4]-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2	O(C[5,6]C[5,5,6]C[5,6]C[4])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH){4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2{1|Co<9>,2|H<1>,6|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[4])(H)	110.3340	0.300	2	110.3340	0.090	2	110.3340	0.090	2	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH){1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2{3|H<1>,6|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2{3|C<4>,6|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	112.6513	1.262	3	112.6513	1.593	3	112.6513	1.593	3	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.4525	0.094	2	113.1103	1.447	7	112.9804	3.492	11	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.6870	0.000	1	113.1103	1.447	7	112.9804	3.492	11	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|O<2>,3|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.7950	0.569	4	113.1103	1.447	7	112.9804	3.492	11	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	115.1940	1.441	2	115.1940	2.077	2	112.9804	3.492	11	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.3120	0.000	2	110.3120	0.000	2	112.9804	3.492	11	112.1813	4.321	22	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	114.9780	0.000	1	114.9780	0.000	1	114.9780	0.000	1	111.5960	22.876	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	111.5960	22.876	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH)	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H)	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	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>}	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	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>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.2353	0.111	3	113.3052	0.016	5	112.3250	3.304	7	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.4320	0.000	1	113.3052	0.016	5	112.3250	3.304	7	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.3880	0.000	1	113.3052	0.016	5	112.3250	3.304	7	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.8745	1.716	2	109.8745	2.945	2	112.3250	3.304	7	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	110.9789	7.802	11	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3)	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH){2|C<4>,5|H<1>}	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>}	O(C[5,6]C[5,6]2C)(H)	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	107.0574	4.705	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.4785	0.728	2	105.4785	0.529	2	106.1693	1.015	4	107.0574	4.705	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.8600	0.779	2	106.8600	0.607	2	106.1693	1.015	4	107.0574	4.705	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:2:4:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	104.6540	0.656	2	104.6540	0.431	2	104.6540	0.431	2	104.6540	0.431	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]2)(H)	110.5140	0.000	1	110.5140	0.000	1	104.6897	6.809	7	105.7731	6.833	13	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]2)(H)	103.6970	0.562	5	103.7190	0.255	6	104.6897	6.809	7	105.7731	6.833	13	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[3,5]C[5,6]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]2)(H)	103.8290	0.000	1	103.7190	0.255	6	104.6897	6.809	7	105.7731	6.833	13	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH)	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H)	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5,6]CH)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	106.4425	3.603	2	106.4425	12.980	2	106.4425	12.980	2	105.7731	6.833	13	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	104.9530	0.000	1	104.9530	0.000	1	107.3342	3.102	4	105.7731	6.833	13	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.2060	0.000	1	108.1280	0.872	3	107.3342	3.102	4	105.7731	6.833	13	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.5890	0.040	2	108.1280	0.872	3	107.3342	3.102	4	105.7731	6.833	13	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	103.3830	0.000	1	103.3830	0.000	1	103.3830	0.000	1	107.0130	26.354	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	107.0130	26.354	2	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:3:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO){2|O<2>,4|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.9663	0.977	6	109.9663	0.955	6	109.9663	0.955	6	109.9663	0.955	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3)	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.2820	0.000	1	105.2820	0.000	1	111.0933	26.205	3	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<4>,1|O<2>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.9990	1.324	2	113.9990	1.752	2	111.0933	26.205	3	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.3140	0.000	1	110.0920	6.976	3	111.4355	11.594	12	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.8350	0.000	1	110.0920	6.976	3	111.4355	11.594	12	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.1270	0.000	1	110.0920	6.976	3	111.4355	11.594	12	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.0590	0.000	1	111.0590	0.000	1	111.4355	11.594	12	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH){1|C<3>,8|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	104.0990	0.000	1	104.0990	0.000	1	111.4355	11.594	12	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.7980	2.143	2	110.7980	4.590	2	111.4355	11.594	12	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.0392	1.930	5	114.0392	3.727	5	111.4355	11.594	12	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.3605	0.022	2	105.3605	0.000	2	105.3605	0.000	2	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.7800	0.048	4	108.7800	0.002	4	106.9188	2.789	13	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	104.9140	0.000	1	106.7654	1.588	5	106.9188	2.789	13	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.1510	0.000	1	106.7654	1.588	5	106.9188	2.789	13	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.2650	0.000	1	106.7654	1.588	5	106.9188	2.789	13	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.7485	0.605	2	106.7654	1.588	5	106.9188	2.789	13	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.0880	0.000	1	106.0880	0.000	1	106.9188	2.789	13	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	104.9697	0.722	3	104.9697	0.521	3	106.9188	2.789	13	109.0088	12.712	31	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6]2C)(H)	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]2C[5])(H)	104.6580	0.000	1	104.6580	0.000	1	104.6580	0.000	1	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	111.5790	1.616	3	111.5790	2.612	3	111.5790	2.612	3	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.6480	0.000	1	109.1135	4.295	2	109.1146	12.682	9	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.5790	0.000	1	109.1135	4.295	2	109.1146	12.682	9	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.2285	0.269	2	111.2285	0.073	2	109.1146	12.682	9	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.9240	0.000	1	112.9240	0.000	1	109.1146	12.682	9	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.1710	0.000	1	107.1710	0.000	1	109.1146	12.682	9	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.1780	0.238	2	110.1780	0.056	2	109.1146	12.682	9	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	100.8960	0.000	1	100.8960	0.000	1	109.1146	12.682	9	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.5840	0.000	1	108.5840	0.000	1	108.9913	0.411	3	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.1950	0.757	2	109.1950	0.572	2	108.9913	0.411	3	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){2|O<2>,5|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.8860	0.095	2	108.8860	0.009	2	108.8860	0.009	2	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.2830	0.000	1	108.2830	0.000	1	109.0837	0.607	3	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.4840	0.502	2	109.4840	0.252	2	109.0837	0.607	3	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH)	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]C[6]P[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[6]P[5])(H)	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	109.2751	6.975	25	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	103.9390	0.000	1	103.9390	0.000	1	103.9390	0.000	1	106.8036	16.520	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6]2C)(CH3)	103.4020	0.000	1	103.4020	0.000	1	103.4020	0.000	1	106.8036	16.520	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	O(C[5,6]C[5,6]2C)(CH3)	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	106.8036	16.520	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	O(C[5,6]C[5,6]2C[5])(CHHO)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]2C[5])(CHHO)	104.6080	0.000	1	104.6080	0.000	1	104.6080	0.000	1	106.8036	16.520	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	O(C[5,6]C[5,6]2C[5])(CHHO)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	O(C[5,6]C[5,6]2C[5])(CHHO)	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	106.8036	16.520	5	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.6720	0.000	1	108.6720	0.000	1	109.5397	1.683	4	109.9117	2.970	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-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)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.9870	0.000	1	110.9870	0.000	1	109.5397	1.683	4	109.9117	2.970	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.2500	1.426	2	109.2500	2.032	2	109.5397	1.683	4	109.9117	2.970	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.6380	0.000	1	108.6380	0.000	1	110.6555	8.141	2	109.9117	2.970	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.6730	0.000	1	112.6730	0.000	1	110.6555	8.141	2	109.9117	2.970	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]2C[5])(H)	105.0440	0.000	1	105.0440	0.000	1	105.0440	0.000	1	107.4138	3.829	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	107.4138	3.829	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.4933	0.713	3	107.5952	3.565	4	107.5952	3.565	4	107.4138	3.829	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	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>}	O(C[5,6]C[5,6]C[5]C[6])(H)	104.9010	0.000	1	107.5952	3.565	4	107.5952	3.565	4	107.4138	3.829	6	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	O(C[5,6]C[3,5]C[5,6]2)(H)	114.8390	0.000	1	114.8390	0.000	1	114.8390	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	O(C[5,6]C[3,5]C[5,6]2)(H)	113.4652	0.865	4	113.5575	0.469	6	113.5575	0.469	6	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[5,6]C[3,5]C[5,6]2)(H)	113.7270	0.000	1	113.5575	0.469	6	113.5575	0.469	6	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[5,6]C[3,5]C[5,6]2)(H)	113.7570	0.000	1	113.5575	0.469	6	113.5575	0.469	6	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3)	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	O(C[5,6]C[5,6]2C)(H)	111.3470	0.000	1	111.3470	0.000	1	111.3470	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	O(C[5,6]C[5,6]2C[5])(H)	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	O(C[5,6]C[5,6]2C[5])(H)	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[3x5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	104.7190	0.000	1	104.7190	0.000	1	104.7190	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){1|C<3>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.3715	1.882	2	106.3715	3.540	2	106.3715	3.540	2	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.5320	0.000	1	108.0843	4.861	13	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.4452	2.117	10	108.0843	4.861	13	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.0560	0.399	2	108.0843	4.861	13	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.5930	0.000	1	105.5930	0.000	1	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.6260	0.000	1	108.3585	3.213	2	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.0910	0.000	1	108.3585	3.213	2	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.0510	0.000	1	108.7720	5.924	2	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.4930	0.000	1	108.7720	5.924	2	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.2140	0.000	1	107.5880	5.288	2	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.9620	0.000	1	107.5880	5.288	2	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.4210	0.000	1	107.7720	3.803	3	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.3150	0.000	1	107.7720	3.803	3	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.5800	0.000	1	107.7720	3.803	3	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.7150	0.000	1	108.7150	0.000	1	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.2873	0.777	3	110.2544	0.309	5	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.2050	0.144	2	110.2544	0.309	5	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.9560	0.000	1	108.9560	0.000	1	108.4128	3.833	30	109.2432	8.278	46	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(OH)	102.4360	0.000	1	102.4360	0.000	1	102.4360	0.000	1	102.4360	0.000	1	110.4721	11.612	628	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	2:4:4:2:	4:4:1:1:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2{1|C<3>,1|N<3>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	115.5770	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	2:4:4:2:	4:4:4:1:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	116.4580	0.000	1	116.4580	0.000	1	111.3670	19.440	3	111.3670	19.440	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	2:4:4:2:	4:4:4:1:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|Si<4>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	108.8215	0.056	2	108.8215	0.003	2	111.3670	19.440	3	111.3670	19.440	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	2:4:4:2:	4:4:4:4:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]O[5,6]C[5]C[6])(H)	110.3460	0.000	1	110.9553	0.285	3	110.9553	0.285	3	110.9553	0.285	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	2:4:4:2:	4:4:4:4:	4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	111.2600	0.116	2	110.9553	0.285	3	110.9553	0.285	3	110.9553	0.285	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:3:4:2:	4:3:1:1:	4:1:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5,6]N[5,6]C[5]C[6])(H)	108.2350	0.092	2	108.2350	0.008	2	108.2350	0.008	2	108.2350	0.008	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:3:4:2:	4:3:2:1:	4:1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	O(C[5,6]C[5,6,6a]C[6,6a]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	O(C[5,6]C[5,6,6a]C[6,6a]C[5])(H)	107.9015	0.576	2	107.9015	0.332	2	107.9015	0.332	2	107.9015	0.332	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:3:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.8860	0.071	2	107.8860	0.005	2	107.8860	0.005	2	107.8860	0.005	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:3:4:2:	4:4:1:1:	4:4:	C[5,6,6a]-3:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC)	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC){1|C<4>,2|O<2>,6|C<3>}	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2{4|C<3>,5|C<4>}	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	103.5270	0.000	1	103.5270	0.000	1	103.5270	0.000	1	103.5270	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:3:2:	4:4:4:1:	4:4:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	105.1870	0.000	1	105.1870	0.000	1	105.1870	0.000	1	105.1870	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:3:3:4:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3){1|C<4>,4|C<3>,5|H<1>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:3:4:1:	4:4:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|H<1>,5|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2	O(C[5,6]C[5,6,6a]C[5,6]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[5,6]C[5,6,6a]C[5,6]C[5])(H)	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	108.7614	5.754	10	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,6]2C[5])(H)	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.7614	5.754	10	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.7330	0.000	1	108.7330	0.000	1	107.5208	2.909	6	108.7614	5.754	10	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.2784	1.788	5	107.2784	3.196	5	107.5208	2.909	6	108.7614	5.754	10	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	108.7614	5.754	10	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5,5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	O(C[5,6]N[5,5,6]C[5]C[6])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]N[5,5,6]C[5]C[6])(H)	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	108.7614	5.754	10	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:1:1:	4:4:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	112.0850	0.332	2	112.0850	0.110	2	112.0850	0.110	2	112.0850	0.110	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:N-3:Br-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	113.8750	1.964	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H)	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H){1|H<1>,2|O<2>,5|C<3>}	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	114.2655	1.736	2	114.2655	3.014	2	114.2655	3.014	2	113.8750	1.964	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	3:4:4:2:	4:4:4:3:	4:1:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO){1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.8020	0.122	2	111.8020	0.015	2	111.8020	0.015	2	111.8020	0.015	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2{1|C<3>,4|C<4>}	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	114.1123	1.928	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2	O(C[5,6]C[5,6]O[5,6]C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2{1|H<1>,1|O<1>,5|C<4>}	O(C[5,6]C[5,6]O[5,6]C[5])(H)	114.9140	0.000	2	114.9140	0.000	2	114.9140	0.000	2	114.1123	1.928	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:2:4:2:	4:4:4:2:	4:1:	C[5,5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH)	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC)	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC){1|H<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	116.0220	0.960	2	116.0220	0.922	2	116.0220	0.922	2	116.0220	0.922	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:2:1:1:	4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:3:2:1:	4:4:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	115.2685	0.105	2	115.2685	0.011	2	115.2685	0.011	2	115.2685	0.011	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	106.4797	2.340	4	106.4797	5.476	4	106.4797	5.476	4	107.7320	7.054	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	110.2365	0.161	2	110.2365	0.026	2	110.2365	0.026	2	107.7320	7.054	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	109.9120	0.000	1	109.7680	0.041	2	109.7680	0.041	2	109.7680	0.041	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	109.6240	0.000	1	109.7680	0.041	2	109.7680	0.041	2	109.7680	0.041	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H)	O(C[5,6]C[4,6]C[5,6]C[5])(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[5,6]C[4,6]C[5,6]C[5])(H)	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.6560	0.571	2	106.6560	0.326	2	107.0523	0.634	3	107.0523	0.634	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.8450	0.000	1	107.8450	0.000	1	107.0523	0.634	3	107.0523	0.634	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:1:1:	4:1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[5,6]C[5,6,6]C[5]O[6])(H)	113.1520	3.355	2	113.1520	11.253	2	113.1520	11.253	2	113.1520	11.253	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	106.7475	0.779	2	106.7475	0.606	2	106.7475	0.606	2	109.7037	26.520	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	115.6160	0.000	1	115.6160	0.000	1	115.6160	0.000	1	109.7037	26.520	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:4:1:	4:1:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H)	O(C[5,6]C[5,5,6]C[5]O[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH){1|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[5,6]C[5,5,6]C[5]O[6])(H)	113.4180	0.000	1	113.4180	0.000	1	113.4180	0.000	1	113.4180	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	115.9300	0.000	1	115.9300	0.000	1	115.9300	0.000	1	112.8285	19.239	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:S-4:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H){2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	112.8285	19.239	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:3:4:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO)	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO){2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(CH3)	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[5,6]C[5,6,6]C[5]O[6])(H)	113.7160	0.000	1	113.7160	0.000	1	113.7160	0.000	1	112.0345	5.655	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]O[6])(H)	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	112.0345	5.655	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]O[6])(H)	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6]C[5]O[6])(H)	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	108.7698	9.750	4	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	104.4830	0.000	1	104.4830	0.000	1	104.4830	0.000	1	108.7698	9.750	4	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.3200	0.000	1	109.3200	0.000	1	110.6490	3.532	2	108.7698	9.750	4	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.9780	0.000	1	111.9780	0.000	1	110.6490	3.532	2	108.7698	9.750	4	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:2:4:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	103.8760	0.000	1	103.8760	0.000	1	103.8760	0.000	1	103.8760	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:3:3:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2	O(C[5,6]C[5,3x6]C[5]C[6])(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	O(C[5,6]C[5,3x6]C[5]C[6])(H)	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.8495	8.147	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	108.8495	8.147	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	104.8600	0.000	1	104.8600	0.000	1	104.8600	0.000	1	108.8495	8.147	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH){3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.4300	0.000	1	112.4300	0.000	1	109.4957	8.626	3	108.8495	8.147	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.5010	0.000	1	109.5010	0.000	1	109.4957	8.626	3	108.8495	8.147	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.5560	0.000	1	106.5560	0.000	1	109.4957	8.626	3	108.8495	8.147	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.3530	0.000	1	106.3530	0.000	1	106.3530	0.000	1	106.3530	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.3340	0.185	2	105.3340	0.034	2	105.3340	0.034	2	105.3340	0.034	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH)	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	109.0312	6.587	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	107.6760	0.000	1	107.6760	0.000	1	107.9053	6.649	3	109.0312	6.587	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.5910	0.000	1	108.0200	13.220	2	107.9053	6.649	3	109.0312	6.587	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	105.4490	0.000	1	108.0200	13.220	2	107.9053	6.649	3	109.0312	6.587	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	109.0312	6.587	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	115.5018	1.643	6	115.5018	2.699	6	115.5018	2.699	6	115.0147	3.910	7	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|O<2>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	115.0147	3.910	7	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	114.7410	0.000	1	114.7410	0.000	1	114.7410	0.000	1	114.7410	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H){2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	103.8155	0.431	2	103.8155	0.185	2	103.8155	0.185	2	103.8155	0.185	2	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H){2|C<3>,3|H<1>,3|O<2>,5|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH)	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[3,5,6]C[5]C[6])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,6|H<1>}	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[3,5,6]C[5]C[6])(H)	105.8045	1.032	2	105.8045	1.064	2	105.8045	1.064	2	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	105.0950	0.000	1	105.0950	0.000	1	105.0950	0.000	1	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH)	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	109.6715	3.781	2	109.6715	14.295	2	109.6715	14.295	2	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	108.5310	0.000	1	108.5310	0.000	1	107.4775	2.220	2	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	106.4240	0.000	1	106.4240	0.000	1	107.4775	2.220	2	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	105.9460	0.000	1	105.9460	0.000	1	105.9460	0.000	1	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.3810	0.000	1	110.3810	0.000	1	110.0179	3.521	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	108.5205	0.210	2	108.5205	0.044	2	110.0179	3.521	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	113.9830	0.000	1	113.9830	0.000	1	110.0179	3.521	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	109.4715	0.296	2	109.5733	0.075	3	110.0179	3.521	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	109.7770	0.000	1	109.5733	0.075	3	110.0179	3.521	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	O(C[5,6]C[5,6]2C[5])(H)	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{2|C<3>,2|O<2>,4|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.6930	0.000	1	110.6930	0.000	1	110.2280	7.971	3	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2{1|C<4>,2|O<2>,3|C<3>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.9955	3.952	2	109.9955	15.618	2	110.2280	7.971	3	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-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)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.7253	0.626	3	110.5063	3.512	6	110.3616	3.073	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.2873	2.561	3	110.5063	3.512	6	110.3616	3.073	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.4930	0.000	1	109.4930	0.000	1	110.3616	3.073	7	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.3370	0.000	1	111.8600	7.187	5	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.7430	0.000	1	111.8600	7.187	5	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	113.4500	0.000	1	111.8600	7.187	5	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.5910	0.000	1	111.8600	7.187	5	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.1790	0.000	1	111.8600	7.187	5	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.1495	0.359	2	109.0853	0.077	3	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.9570	0.000	1	109.0853	0.077	3	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.4165	0.841	2	112.9411	4.934	7	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.3510	2.388	5	112.9411	4.934	7	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.3380	0.000	1	108.2543	27.765	3	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.2125	0.112	2	108.2543	27.765	3	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.0860	0.000	1	107.0860	0.000	1	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.1890	0.194	2	106.1890	0.038	2	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.5450	0.000	1	110.5450	0.000	1	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.3510	0.000	1	106.9930	4.179	3	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.8140	0.130	2	106.9930	4.179	3	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.5210	0.000	1	107.5210	0.000	1	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.5720	0.000	1	109.5720	0.000	1	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.5465	1.469	2	108.5465	2.157	2	109.8993	10.332	29	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.9510	2.212	2	105.9510	4.892	2	105.9510	4.892	2	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	104.5610	0.305	2	104.5610	0.093	2	107.4504	10.139	5	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.3440	0.000	1	111.3440	0.000	1	107.4504	10.139	5	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.5450	0.000	1	106.5450	0.000	1	107.4504	10.139	5	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.2410	0.000	1	110.2410	0.000	1	107.4504	10.139	5	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	102.7890	0.508	2	102.7890	0.258	2	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	113.5735	0.065	4	113.5735	0.004	4	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.8400	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.6230	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.3695	0.296	2	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.6110	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.6405	0.217	2	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	107.7010	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	113.1070	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.6423	2.363	13	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.9450	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	111.0150	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.3360	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.1040	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.7920	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.1755	0.336	2	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	113.5593	0.422	3	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	108.4810	0.000	1	108.3319	7.563	33	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.3980	2.558	4	106.3980	6.546	4	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	109.5867	0.436	3	109.5867	0.190	3	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.0920	0.000	1	106.0920	0.000	1	108.4100	9.958	47	108.9475	9.287	112	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	O(C[5,6]C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(OH)	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2	O(C[5,6]C[5,6]2C[5])(CHHO)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]2C[5])(CHHO)	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	107.9897	3.880	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	106.8525	0.040	2	106.8525	0.002	2	106.8525	0.002	2	107.9897	3.880	3	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H)	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	100.4200	0.000	1	100.4200	0.000	1	100.4200	0.000	1	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H)	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[5,6]C[5,6]2C[5])(H)	106.9140	0.000	1	106.9140	0.000	1	106.9140	0.000	1	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.0560	0.000	1	114.0560	0.000	1	110.0696	6.362	5	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.0940	0.000	1	111.0940	0.000	1	110.0696	6.362	5	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.2505	0.064	2	108.2505	0.004	2	110.0696	6.362	5	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.6970	0.000	1	108.6970	0.000	1	110.0696	6.362	5	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.7690	0.000	1	106.7690	0.000	1	106.7690	0.000	1	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H){1|H<1>,5|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	107.4433	11.950	11	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H){2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.2030	0.000	1	105.2030	0.000	1	105.2030	0.000	1	109.7950	16.191	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	114.0160	0.000	2	114.0160	0.000	2	110.9430	12.802	4	109.7950	16.191	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.8700	0.796	2	107.8700	0.634	2	110.9430	12.802	4	109.7950	16.191	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	110.1290	0.000	1	110.1290	0.000	1	110.1290	0.000	1	109.4984	6.000	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	109.4984	6.000	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	106.9995	0.425	2	106.9995	0.181	2	108.2817	5.022	3	109.4984	6.000	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.8460	0.000	1	110.8460	0.000	1	108.2817	5.022	3	109.4984	6.000	5	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.4310	0.000	1	110.4310	0.000	1	110.0692	1.881	9	110.0692	1.881	9	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.8645	0.192	2	110.0370	2.482	7	110.0692	1.881	9	110.0692	1.881	9	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.7060	1.798	5	110.0370	2.482	7	110.0692	1.881	9	110.0692	1.881	9	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.9330	0.000	1	109.9330	0.000	1	110.0692	1.881	9	110.0692	1.881	9	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[3,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH)	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH)	O(C[5,6]C[3,6]C[5,6]C[5])(H)	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5,6]C[3,6]C[5,6]C[5])(H)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.8953	0.261	3	108.9115	0.046	4	109.0932	0.200	5	109.1603	0.187	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.9600	0.000	1	108.9115	0.046	4	109.0932	0.200	5	109.1603	0.187	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.8200	0.000	1	109.8200	0.000	1	109.0932	0.200	5	109.1603	0.187	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5,6]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.1603	0.187	6	109.4862	11.253	256	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[3x5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO)	O(C[5]C[3x5,6]C[5]C)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH){1|O<2>,4|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[3x5,6]CO)(C[5,6]C[5,5,6]HH)(C[5]C[5]CO){2|O<2>,3|C<4>,4|H<1>}	O(C[5]C[3x5,6]C[5]C)(H)	110.0345	0.947	2	110.0345	0.896	2	110.0345	0.896	2	110.0345	0.896	2	110.0345	0.896	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[3x5]	O	4:3:2:1:	4:4:4:4:	4:1:	C[3x5]-4:C[5]-3:O-2:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[3x5]C[5]H)(H)	114.6870	0.000	1	114.1530	0.570	2	114.1530	0.570	2	111.8817	15.762	3	110.9172	14.228	4	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[3x5]	O	4:3:2:1:	4:4:4:4:	4:1:	C[3x5]-4:C[5]-3:O-2:H-1:	C[4x5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO)	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]O[5]2H)(C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[5]C[3x5]C[5]H)(H)	113.6190	0.000	1	114.1530	0.570	2	114.1530	0.570	2	111.8817	15.762	3	110.9172	14.228	4	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[3x5]	O	4:3:2:1:	4:4:4:4:	4:1:	C[3x5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH){2|O<1>,4|H<1>}	O(C[5]C[3x5]C[5]H)(H)	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	111.8817	15.762	3	110.9172	14.228	4	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[3x5]	O	4:4:2:1:	4:4:4:3:	4:4:	C[3x5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:S-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H)	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H)	O(C[5]C[3x5]C[5]H)(SCOO)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HO)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,6|H<1>}	O(C[5]C[3x5]C[5]H)(SCOO)	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	110.9172	14.228	4	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,3x6]	O	4:3:2:1:	3:3:2:4:	4:1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5]-4:H-1:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5]C[5,3x6]C[5]H)(H)	111.7810	0.000	1	111.7810	0.000	1	111.7810	0.000	1	111.7810	0.000	1	113.7101	9.608	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,3x6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,3x6]C[5]H)(H)	116.1980	0.000	1	116.1330	0.565	3	116.1167	0.378	4	116.1167	0.378	4	113.7101	9.608	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,3x6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,3x6]C[5]H)(H)	116.1005	1.060	2	116.1330	0.565	3	116.1167	0.378	4	116.1167	0.378	4	113.7101	9.608	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,3x6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){3|H<1>,3|O<2>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,3x6]C[5]H)(H)	116.0680	0.000	1	116.0680	0.000	1	116.1167	0.378	4	116.1167	0.378	4	113.7101	9.608	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,3x6]	O	4:4:2:1:	3:3:4:2:	4:1:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5]-4:H-1:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	O(C[5]C[5,3x6]C[5,5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,2|N<3>,4|C<3>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[5]C[5,3x6]C[5,5]H)(H)	109.8615	0.037	2	109.8615	0.001	2	109.8615	0.001	2	109.8615	0.001	2	113.7101	9.608	7	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6,6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5]-4:O-2:O-2:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH)	O(C[5]C[5,5,6,6]C[5]O)(CH3)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2{1|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,5,6,6]C[5]O)(CH3)	112.1035	5.689	2	112.1035	32.361	2	112.1035	32.361	2	112.1035	32.361	2	112.1035	32.361	2	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	O(C[5]C[5,5,6]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	O(C[5]C[5,5,6]C[5,6a]H)(H)	112.1510	1.519	2	112.1510	2.307	2	112.1510	2.307	2	112.1510	2.307	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:2:2:1:	4:3:4:4:	4:1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO)	O(C[5]C[5,5,6]O[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[5]C[5,5,6]O[5]H)(H)	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	109.6830	0.421	2	108.8850	1.999	3	108.8850	1.999	3	108.8035	1.359	4	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]O[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<1>,2|C<3>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	107.2890	0.000	1	108.8850	1.999	3	108.8850	1.999	3	108.8035	1.359	4	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:P[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	108.8035	1.359	4	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5,5,6]-4:O[5]-2:C-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H)	O(C[5]C[5,5,6]O[5]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]CO)(H){1|C<3>,1|O<1>,4|H<1>}	O(C[5]C[5,5,6]O[5]C)(H)	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H)	O(C[5]C[5,5,6]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5,5,6]N[5]H)(H)	111.7220	0.717	3	111.7220	0.515	3	112.5805	3.291	4	112.5805	3.291	4	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H)	O(C[5]C[5,5,6]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,5,6]N[5]H)(H)	115.1560	0.000	1	115.1560	0.000	1	112.5805	3.291	4	112.5805	3.291	4	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H){1|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	O(C[5]C[5,5,6]C[5]H)(H)	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(C[6]C[6]H){1|Si<4>,1|O<2>,3|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	114.0570	0.000	1	114.0570	0.000	1	114.0570	0.000	1	114.9780	1.696	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	114.9780	1.696	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	115.8040	3.954	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H){4|H<1>,5|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	115.8040	3.954	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:3:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:C[6]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO)	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO){1|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	3:2:4:4:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	115.3770	0.000	1	115.3770	0.000	1	115.3770	0.000	1	115.3770	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	111.3990	0.000	1	111.5490	0.045	2	111.5490	0.045	2	111.5490	0.045	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	111.6990	0.000	1	111.5490	0.045	2	111.5490	0.045	2	111.5490	0.045	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	3:4:4:4:	4:4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:Si-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|C<4>,9|H<1>}	O(C[5]C[5,5,6]C[5]H)(SiC3)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H)	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	116.0505	0.371	4	116.0505	0.138	4	116.0505	0.138	4	116.0505	0.138	4	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H)	O(C[5]C[5,5,6]C[5,5]H)(SiC3)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H){1|N<2>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HO)(H){1|C<4>,1|N<2>,5|H<1>}	O(C[5]C[5,5,6]C[5,5]H)(SiC3)	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H){1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	108.7510	0.000	1	108.7510	0.000	1	111.5345	15.496	2	110.9610	8.735	3	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H){1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	114.3180	0.000	1	114.3180	0.000	1	111.5345	15.496	2	110.9610	8.735	3	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H)	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])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	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>}	O(C[5]C[5,5,6]C[5]H)(H)	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	110.9610	8.735	3	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO)	O(C[5]C[5,5,6]C[5,6]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO){1|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5,5,6]C[5,6]H)(H)	113.9400	0.000	1	113.9400	0.000	1	113.9400	0.000	1	111.8245	2.564	6	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	112.2980	0.536	2	112.2980	0.287	2	112.2980	0.287	2	111.8245	2.564	6	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,3|C<4>,5|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	109.1710	0.000	1	109.1710	0.000	1	110.1490	1.913	2	111.8245	2.564	6	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|C<4>,6|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	111.1270	0.000	1	111.1270	0.000	1	110.1490	1.913	2	111.8245	2.564	6	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	111.8245	2.564	6	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:Si-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,7|H<1>}	O(C[5]C[5,5,6]C[5]H)(SiC3)	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	113.6330	0.007	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5,6]C[5]H)(CHHO)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	O(C[5]C[5,5,6]C[5]H)(CHHO)	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	113.6330	0.007	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:4:2:	4:2:4:3:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[3x5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,5,6]C[5]C)(H)	111.7520	0.000	2	111.7520	0.000	2	111.7520	0.000	2	111.7520	0.000	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:4:2:	4:2:4:4:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[3x5]-4:O[5,6]-2:C[6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	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)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	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>}	O(C[5]C[5,5,6]C[5]C)(H)	112.1920	0.000	2	112.1920	0.000	2	112.1920	0.000	2	110.7207	6.494	3	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:4:2:	4:2:4:4:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	O(C[5]C[5,5,6]C[5]C)(H)	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	110.7207	6.494	3	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH){2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH){1|O<2>,4|C<4>,5|H<1>}	O(C[5]C[5,5,6]C[5]C)(H)	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){1|H<1>,3|C<4>,3|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5,6]C[5]C)(H)	104.1040	0.000	1	104.1040	0.000	1	105.6515	4.790	2	105.6515	4.790	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){3|C<4>,4|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5,6]C[5]C)(H)	107.1990	0.000	1	107.1990	0.000	1	105.6515	4.790	2	105.6515	4.790	2	112.0393	7.718	46	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	3:4:2:1:	4:4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H)	O(C[5]C[5,6a]C[5,5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H){1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H){1|O<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5]H)(CCHH)	115.2630	1.452	2	115.2630	2.109	2	115.2630	2.109	2	115.2630	2.109	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:2:4:3:	4:1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H)	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	112.4940	0.000	1	112.4940	0.000	1	112.4940	0.000	1	112.4940	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	111.1617	3.342	3	111.1617	11.171	3	111.1617	11.171	3	111.1617	11.171	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:3:3:	4:1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	114.4563	1.619	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:3:3:	4:1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|C<4>,4|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	115.1800	0.310	2	115.1800	0.096	2	115.1800	0.096	2	114.4563	1.619	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:3:4:	4:1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:2:1:	4:4:4:4:	4:1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:3:2:	4:4:2:3:	4:1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO)	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO){1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,5]C[6a])(H)	107.4695	5.790	2	107.4695	33.530	2	107.4695	33.530	2	107.4695	33.530	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:4:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5]C)(H)	111.0200	0.000	1	111.0200	0.000	1	109.2940	5.050	4	109.2940	5.050	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:4:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6a]C[5,5]C)(H)	110.0835	0.022	2	110.0835	0.000	2	109.2940	5.050	4	109.2940	5.050	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:4:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5,5]C)(H)	105.9890	0.000	1	105.9890	0.000	1	109.2940	5.050	4	109.2940	5.050	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:4:2:	3:4:3:1:	4:4:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6]){1|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:4:2:	3:4:3:3:	4:1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,5]C)(H)	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	3:4:4:2:	4:3:4:3:	4:1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH)	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O)	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5,5]C)(H)	111.0210	0.785	2	111.0210	0.616	2	111.0210	0.616	2	111.0210	0.616	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:2:4:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]N[5,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5,5]O[5]H)(H)	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|H<1>,5|C<4>}	O(C[5]C[5,5]O[5]H)(H)	107.3460	0.304	2	107.3460	0.092	2	107.5885	0.297	4	107.5885	0.297	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]O[5]H)(H)	107.3000	0.000	1	107.3000	0.000	1	107.5885	0.297	4	107.5885	0.297	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	108.3620	0.000	1	108.3620	0.000	1	107.5885	0.297	4	107.5885	0.297	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]O[5]H)(CCHH)	107.2405	0.740	2	107.2405	0.548	2	107.7936	1.818	14	107.8432	1.725	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	108.7940	1.699	3	108.7940	2.886	3	107.7936	1.818	14	107.8432	1.725	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]O[5]H)(CH3)	107.5830	1.290	9	107.5830	1.663	9	107.7936	1.818	14	107.8432	1.725	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]O[5]H)(SiC3)	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	107.8432	1.725	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:2:4:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:3:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H)	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]O[5]HO)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(H)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	108.5690	0.000	1	108.5690	0.000	1	109.1300	0.484	3	109.1300	0.484	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5,5]O[5]H)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CCHH)	108.9130	0.000	1	109.4105	0.495	2	109.1300	0.484	3	109.1300	0.484	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5,5]O[5]H)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>,3|H<1>}	O(C[5]C[5,5]O[5]H)(CCHH)	109.9080	0.000	1	109.4105	0.495	2	109.1300	0.484	3	109.1300	0.484	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(H)	109.3090	0.000	1	109.3090	0.000	1	108.0687	1.182	3	108.0590	0.788	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(H)	107.4485	0.237	2	107.4485	0.056	2	108.0687	1.182	3	108.0590	0.788	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|C<3>,3|H<1>}	O(C[5]C[5,5]O[5]H)(H)	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	108.0590	0.788	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H)	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	108.5342	1.993	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	107.0410	0.334	2	107.0410	0.111	2	107.0410	0.111	2	108.5342	1.993	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	108.5342	1.993	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CH3)	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	108.5342	1.993	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:2:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H)	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])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|H<1>,4|C<4>}	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>}	O(C[5]C[5,5]O[5]H)(H)	113.6590	0.000	1	113.6590	0.000	1	113.6590	0.000	1	111.9483	4.875	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:2:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H)	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])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	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>}	O(C[5]C[5,5]O[5]H)(H)	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	111.9483	4.875	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:2:	4:1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H)	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H){4|C<4>,4|H<1>}	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5]){4|C<4>,5|H<1>}	O(C[5]C[5,5]O[5]H)(H)	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	111.9483	4.875	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:3:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5]-4:C[6]-4:	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:1:	4:4:4:4:	4:4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H)	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO)	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]O[5]HO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5,5]O[5]H)(CH3)	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:2:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H)	O(C[5]C[5,5]O[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H){1|Cl<1>,1|C<3>,4|H<1>}	O(C[5]C[5,5]O[5]O)(CCHH)	116.1610	0.000	1	116.1610	0.000	1	111.7235	39.383	2	111.7235	39.383	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:2:2:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:O-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H)	O(C[5]C[5,5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H){1|Cl<1>,1|C<3>,4|H<1>}	O(C[5]C[5,5]O[5]O)(CH3)	107.2860	0.000	1	107.2860	0.000	1	111.7235	39.383	2	111.7235	39.383	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:3:2:	4:4:3:1:	4:4:	C[5,5]-4:O[5]-2:C-3:O-2:	C[5,5]-4:C[5]-4:C[5]-3:Cl-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]C[5]O)(Cl)	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]C[5]O)(Cl){1|Cl<1>,1|H<1>,3|C<4>}	O(C[5]C[5,5]O[5]C)(CH3)	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	3:4:2:4:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|C<3>,1|C<4>,1|O<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|O<1>}	O(C[5]C[5,5]O[5]C)(CH3)	107.9320	0.000	1	107.4101	0.712	10	107.4101	0.712	10	107.4101	0.712	10	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	3:4:2:4:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,2|O<1>}	O(C[5]C[5,5]O[5]C)(CH3)	106.4530	0.000	1	107.4101	0.712	10	107.4101	0.712	10	107.4101	0.712	10	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	3:4:2:4:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]O[5]C)(CH3)	107.5451	0.897	7	107.4101	0.712	10	107.4101	0.712	10	107.4101	0.712	10	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	3:4:2:4:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,5]O[5]C)(CH3)	106.9000	0.000	1	107.4101	0.712	10	107.4101	0.712	10	107.4101	0.712	10	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	3:4:4:1:	4:1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H)	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[5]C[5,5]O[5]C)(H)	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	4:3:4:1:	4:1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H)	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH){1|H<1>,1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6,6]O)(C[5]O[5]CO)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[5]C[5,5]O[5]C)(H)	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	4:4:2:1:	4:1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H){2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]C)(H)	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	4:4:2:2:	4:1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH)	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]C)(H)	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	4:4:3:4:	4:1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3)	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	O(C[5]C[5,5]O[5]C)(H)	107.0050	1.024	2	107.0050	1.048	2	107.0050	1.048	2	107.0050	1.048	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H)	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]C)(H)	105.3120	0.000	1	105.3120	0.000	1	105.3120	0.000	1	105.4250	0.026	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H)	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]C)(H)	105.5380	0.000	1	105.5380	0.000	1	105.5380	0.000	1	105.4250	0.026	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:2:4:3:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:O[5]-2:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H){1|C<4>,2|C<3>,2|O<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HO)(C[5]C[5]O){2|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:3:4:3:	4:4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,5]N[5]H)(CH3)	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:4:3:2:	4:1:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	113.1596	1.740	7	113.1596	3.028	7	113.1596	3.028	7	113.1596	3.028	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.7133	0.402	3	111.7133	0.161	3	111.7133	0.161	3	111.7133	0.161	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:4:4:2:	4:1:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5,5]H)(H)	111.1515	0.312	2	111.1515	0.097	2	111.1515	0.097	2	111.1515	0.097	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	3:4:4:3:	4:4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S)	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S){3|C<3>,5|H<1>}	O(C[5]C[5,5]N[5]H)(CH3)	110.4865	3.061	2	110.4865	9.370	2	110.4865	9.370	2	110.4865	9.370	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:2:4:2:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H){1|O<2>,3|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:3:3:4:	4:1:	C[5,5]-4:N[5]-3:O-2:H-1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	O(C[5]C[5,5]N[5]H)(H)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H){3|C<3>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	O(C[5]C[5,5]N[5]H)(H)	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	O(C[5]C[5,5]C[5]H)(H)	114.8950	1.508	5	114.8950	2.275	5	114.8950	2.275	5	114.8950	2.275	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	117.9040	0.000	1	117.9040	0.000	1	114.2853	16.091	3	114.2853	16.091	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	109.9720	0.000	1	109.9720	0.000	1	114.2853	16.091	3	114.2853	16.091	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	114.9800	0.000	1	114.9800	0.000	1	114.2853	16.091	3	114.2853	16.091	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:2:2:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	115.0400	0.853	2	115.0400	0.727	2	115.0400	0.727	2	115.0400	0.727	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:2:3:	4:1:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2)	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2){2|H<1>,3|C<3>,3|C<4>}	O(C[5]C[5,6a]C[5,5]H)(H)	113.8240	0.000	1	113.8240	0.000	1	113.8240	0.000	1	113.8240	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H)	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(C[5]C[5]H)(H){1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC3)	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	112.6305	0.090	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:3:1:	4:4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H)	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HO)(C[5]C[5]O)(H){1|C<3>,1|S<4>,5|H<1>}	O(C[5]C[5,5]N[5]H)(CH3)	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.6305	0.090	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	115.4306	2.972	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H){2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.9395	0.356	2	113.9395	0.127	2	113.9395	0.127	2	115.4306	2.972	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	118.0530	0.000	1	118.0530	0.000	1	118.0530	0.000	1	115.4306	2.972	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H)	O(C[5]C[5,5]N[5]H)(H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[5]C[5,5]N[5]H)(H)	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.4306	2.972	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H)	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	115.4537	1.638	3	115.4537	2.684	3	115.4537	2.684	3	115.4537	2.684	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:2:	3:4:3:2:	4:4:	C[5,5]-4:C[5]-3:O-2:O-2:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2{1|C<4>,4|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	O(C[5]C[5,5]C[5]O)(CH3)	110.4825	4.249	2	110.4825	18.054	2	110.4825	18.054	2	110.4825	18.054	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:2:	3:4:4:1:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H)	O(C[5]C[5,5]C[6a]O[5])(CH3)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H){1|H<1>,2|O<2>,6|C<3>}	O(C[5]C[5,5]C[6a]O[5])(CH3)	104.7420	0.000	1	104.7420	0.000	1	104.7420	0.000	1	104.7420	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:2:2:	4:4:4:3:	4:1:	C[5,5]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH)	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:3:2:	3:4:4:2:	4:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|C<3>}	O(C[5]C[5,6a]C[5,5]C[6a])(H)	104.1960	0.000	1	104.1960	0.000	1	104.1960	0.000	1	104.1960	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:3:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[5]C[5,5]C[5]C)(H)	113.7320	0.178	2	113.7320	0.032	2	113.7320	0.032	2	113.7320	0.032	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:3:2:	3:4:4:3:	4:4:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O)	O(C[5]C[5,5]C[5]C)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC){1|N<3>,2|C<2>,2|C<3>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|P<4>,2|C<3>}	O(C[5]C[5,5]C[5]C)(CH3)	101.8250	0.000	1	101.8250	0.000	1	101.8250	0.000	1	101.8250	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH)	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	C[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	O(C[5]C[5,5]C[5]C)(H)	106.9163	0.162	3	106.9163	0.026	3	106.9163	0.026	3	109.8888	16.622	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H){1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	114.3475	0.412	2	114.3475	0.170	2	114.3475	0.170	2	109.8888	16.622	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5,5]C[5]C)(H)	116.5760	0.000	1	116.5760	0.000	1	116.5760	0.000	1	116.5760	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:4:2:	4:2:4:1:	4:1:	C[5,5]-4:N[5]-3:C-4:O-2:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H)	O(C[5]C[5,5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH){1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,5]N[5]C)(H)	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:4:2:	4:2:4:2:	4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	110.4540	0.000	1	110.4540	0.000	1	110.8960	0.391	2	110.8960	0.391	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H){1|O<1>,3|C<3>,4|H<1>}	O(C[5]C[5,5]C[6a]C[5])(H)	111.3380	0.000	1	111.3380	0.000	1	110.8960	0.391	2	110.8960	0.391	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,5]-4:N[5]-3:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]N[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H){1|O<1>,3|C<4>}	O(C[5]C[5,5]N[5]C)(H)	115.1290	0.557	3	115.1290	0.310	3	115.1290	0.310	3	115.1290	0.310	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	105.7200	0.000	1	105.7200	0.000	1	105.7200	0.000	1	105.7200	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:3:4:2:	4:4:3:3:	4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]H)(CCO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]H)(CCO){1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:2:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:2:3:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H){1|O<1>,4|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	O(C[5]C[5,5]C[5]H)(H)	112.6807	2.602	3	112.6807	6.769	3	112.6807	6.769	3	112.6807	6.769	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.0310	0.000	1	111.4580	13.241	2	111.3920	5.515	14	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.8850	0.000	1	111.4580	13.241	2	111.3920	5.515	14	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.4017	0.072	4	113.4017	0.005	4	111.3920	5.515	14	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.5020	0.000	1	114.5020	0.000	1	111.3920	5.515	14	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.6500	0.040	2	109.7804	2.403	7	111.3920	5.515	14	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.5537	0.123	4	109.7804	2.403	7	111.3920	5.515	14	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.9480	0.000	1	109.7804	2.403	7	111.3920	5.515	14	111.3679	5.130	15	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	107.8220	0.000	1	107.8220	0.000	1	109.3388	13.278	5	109.7750	9.411	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	105.3620	0.000	1	105.3620	0.000	1	109.3388	13.278	5	109.7750	9.411	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	114.2940	0.000	1	114.2940	0.000	1	109.3388	13.278	5	109.7750	9.411	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC3)	109.6080	3.209	2	109.6080	10.297	2	109.3388	13.278	5	109.7750	9.411	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	110.8655	0.155	2	110.8655	0.024	2	110.8655	0.024	2	109.7750	9.411	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	112.9990	1.482	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.5993	0.247	3	113.5993	0.061	3	113.5993	0.061	3	112.9990	1.482	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:3:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	114.4363	1.948	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:3:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[5]C[5,5]C[5]H)(CH3)	113.3585	0.692	2	113.8773	1.047	3	113.8773	1.047	3	114.4363	1.948	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:3:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[5,5]C[5]H)(CH3)	114.9150	0.000	1	113.8773	1.047	3	113.8773	1.047	3	114.4363	1.948	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,2|C<3>,7|H<1>}	O(C[5]C[5,5]C[5]H)(H)	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	3:4:4:4:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5,5]C[5]H)(H)	110.7465	0.176	2	110.7465	0.031	2	110.7465	0.031	2	110.7465	0.031	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5,5]C[5]H)(H)	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:3:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	115.4780	0.000	1	115.4780	0.000	1	113.8700	2.221	3	113.8700	2.221	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:3:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H){2|C<3>,2|O<1>}	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,5]C[5]H)(H)	113.0660	0.751	2	113.0660	0.564	2	113.8700	2.221	3	113.8700	2.221	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	111.6107	7.173	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	113.1315	0.684	2	113.1315	0.468	2	113.1315	0.468	2	111.6107	7.173	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	O(C[5]C[5,5]C[5]H)(H)	112.0090	1.799	2	113.6380	9.579	3	114.1407	7.397	4	114.1407	7.397	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|O<2>,5|C<3>}	O(C[5]C[5,5]C[5]H)(H)	116.8960	0.000	1	113.6380	9.579	3	114.1407	7.397	4	114.1407	7.397	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	O(C[5]C[5,5]C[5]H)(H)	115.6490	0.000	1	115.6490	0.000	1	114.1407	7.397	4	114.1407	7.397	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	109.4680	2.056	3	109.4680	4.226	3	109.4680	4.226	3	109.4680	4.226	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:3:4:4:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H)	O(C[5]C[3,5]C[5,5]H)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O(C[5]C[3,5]C[5,5]H)(H)	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	109.8090	0.000	1	109.8090	0.000	1	112.2880	12.291	2	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.7670	0.000	1	114.7670	0.000	1	112.2880	12.291	2	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[4x5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H)	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H){1|C<3>,4|C<4>}	C[5,5](C[4x5]C[3x5]2C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O(C[5]C[5,5]C[5]H)(H)	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|F<1>,1|N<3>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.9920	0.000	1	114.9920	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.2080	3.147	2	110.2080	9.901	2	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.6670	0.000	1	111.6670	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	105.8990	1.105	2	105.8990	1.220	2	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	110.0440	0.000	1	110.0440	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	112.1540	0.054	2	112.1540	0.003	2	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	106.2660	0.000	1	106.2660	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.4390	0.000	1	108.4390	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5,5]C[5]H)(H)	112.1490	0.000	1	112.1490	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	109.9213	1.234	3	109.9213	1.523	3	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	110.8608	1.680	13	110.8608	2.822	13	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H){1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	114.4810	0.000	1	114.4810	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.3330	0.826	2	111.3330	0.682	2	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.0120	0.000	1	114.4336	3.038	9	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.9330	0.000	1	114.4336	3.038	9	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	116.1780	0.000	1	114.4336	3.038	9	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	115.2374	0.109	5	114.4336	3.038	9	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.5920	0.000	1	114.4336	3.038	9	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	106.5790	0.000	1	106.5790	0.000	1	111.3332	7.844	41	111.4760	7.663	45	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(NOO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(NOO)	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	109.1970	6.351	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SC[6]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(SC[6]O)	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	109.1970	6.351	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[5,5]-4:O-2:H-1:	C[3x5,6]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H)	O(C[5]C[5,5,6]C[5,5]H)(SiC3)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H){1|N<2>,3|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HO)(N[5]N[5])(H){3|C<4>,3|H<1>}	O(C[5]C[5,5,6]C[5,5]H)(SiC3)	113.6760	0.000	1	113.6760	0.000	1	113.6760	0.000	1	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[4,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H)	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H){4|C<4>}	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	114.0080	0.000	1	114.0080	0.000	1	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	116.2380	0.000	1	116.2380	0.000	1	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,6|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.2635	2.921	2	109.2635	8.533	2	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CHHO)	108.9030	0.000	1	108.9030	0.000	1	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.2430	0.000	1	110.2430	0.000	1	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5]HH)	106.2460	0.000	1	108.4015	9.292	2	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5]HH)	110.5570	0.000	1	108.4015	9.292	2	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	110.7637	3.049	3	110.7637	9.295	3	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	111.1760	0.000	1	110.5813	0.382	9	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	111.7850	0.000	1	110.5813	0.382	9	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.2766	0.404	5	110.5813	0.382	9	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.4440	0.314	2	110.5813	0.382	9	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	115.8240	0.000	1	114.2560	5.439	3	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	113.4720	2.681	2	114.2560	5.439	3	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CH3)	110.5600	0.000	1	110.5600	0.000	1	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CH3)	108.8580	6.501	2	108.8580	42.265	2	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	114.9370	0.000	1	114.9370	0.000	1	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	110.7090	0.000	1	110.1380	0.652	2	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	109.5670	0.000	1	110.1380	0.652	2	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CCHH)	111.6476	2.244	7	111.6476	5.036	7	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	110.2392	4.081	4	110.2392	16.653	4	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.0865	0.906	2	110.3098	4.699	17	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<5>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.3130	0.331	2	110.3098	4.699	17	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.4975	2.445	13	110.3098	4.699	17	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(CH3)	112.2486	2.868	10	112.2486	8.223	10	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CCHH)	106.4165	0.314	4	106.4165	0.099	4	110.7664	7.899	71	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:P-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(PC[6a]3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(PC[6a]3)	109.7205	0.353	2	109.7205	0.125	2	109.7205	0.125	2	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SCOO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(SCOO)	109.5820	0.000	1	109.5820	0.000	1	108.5822	2.452	6	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	106.3820	0.000	1	106.8145	0.374	2	108.5822	2.452	6	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	107.2470	0.000	1	106.8145	0.374	2	108.5822	2.452	6	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	108.1480	0.000	1	108.1480	0.000	1	108.5822	2.452	6	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SCOO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(SCOO)	110.0670	0.192	2	110.0670	0.037	2	108.5822	2.452	6	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	115.1920	0.000	1	115.1920	0.000	1	113.0117	7.860	8	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	106.4840	0.000	1	106.4840	0.000	1	113.0117	7.860	8	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(SiC3)	114.8150	0.000	2	114.8150	0.000	2	113.0117	7.860	8	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	113.1970	0.582	4	113.1970	0.339	4	113.0117	7.860	8	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.8280	8.147	92	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,7|C<4>}	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5]){1|O<2>,4|H<1>,6|C<4>}	O(C[5]C[5,5]C[5,6]H)(H)	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	111.7812	11.094	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H){1|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	O(C[5]C[5,5]C[5]H)(H)	114.9200	0.000	1	114.9200	0.000	1	114.9200	0.000	1	111.7812	11.094	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	108.4345	2.016	2	108.4345	4.064	2	110.4537	14.263	3	111.7812	11.094	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.4920	0.000	1	114.4920	0.000	1	110.4537	14.263	3	111.7812	11.094	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	115.2710	0.000	1	115.2710	0.000	1	112.7650	12.560	2	112.7650	12.560	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH){1|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.2590	0.000	1	110.2590	0.000	1	112.7650	12.560	2	112.7650	12.560	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H)	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H)	O(C[5]C[5,5]2H)(H)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]O)(C[5]C[5,5]HO)(C[5]C[5]H)(H){2|C<4>,6|H<1>}	O(C[5]C[5,5]2H)(H)	111.8420	0.000	1	111.8420	0.000	1	111.8420	0.000	1	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	111.2370	0.000	1	111.2370	0.000	1	111.2370	0.000	1	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.8940	2.758	2	113.8940	7.605	2	113.8940	7.605	2	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H){1|O<1>,5|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.6410	0.000	1	108.6410	0.000	1	107.9685	0.905	2	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	107.2960	0.000	1	107.2960	0.000	1	107.9685	0.905	2	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|S<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.0109	5.633	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.5890	0.336	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	111.5890	0.336	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H)	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	113.4390	0.000	1	113.4390	0.000	1	113.4390	0.000	1	111.9093	4.339	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H)	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5])	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5]C[5]HO)(C[5]O[5]CH)(C[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	111.9093	4.339	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H)	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)(SiC3)	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	111.9093	4.339	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:3:	4:1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[3x5,6]-4:C[5]-4:C[5]-3:C-3:	C[5]-4:H-1:	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H)	C[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5]C[5,6]HO)(C[5]C[5]H)(CCO)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5]C[5,6]HO)(C[5]C[5]H)(CCO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[5]C[5,5]C[5,6]H)(H)	111.7950	2.469	2	111.7950	6.097	2	111.7950	6.097	2	112.7997	6.077	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:3:	4:1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H)	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]C)(C[5]O[5]O){3|C<4>,3|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	112.7997	6.077	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:3:	4:4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:Si-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H)	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O)	O(C[5]C[5,5]C[5,6]H)(SiC3)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H){1|C<2>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(C[5]C[5]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,5]C[5,6]H)(SiC3)	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	113.8590	4.067	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:3:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CHHO)	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	113.8590	4.067	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO)	O(C[5]C[5,3x6]C[5,5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO){1|C<4>,1|O<2>,1|S<2>,2|N<3>,4|H<1>,6|C<3>}	O(C[5]C[5,3x6]C[5,5]H)(H)	109.2985	1.305	2	109.2985	1.702	2	109.2985	1.702	2	109.2985	1.702	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H)	O(C[5]C[5,5]2H)(H)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5,5]2H)(H)	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	110.9367	3.440	6	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.9367	3.440	6	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	110.9367	3.440	6	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H){1|O<1>,4|C<4>,8|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.3780	0.000	1	113.3780	0.000	1	113.3780	0.000	1	110.9367	3.440	6	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	O(C[5]C[5,5]C[5]H)(H)	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	110.9367	3.440	6	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]HO)(C[5]O[5]HH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[5]C[5,5]C[5,6]H)(H)	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	110.9367	3.440	6	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	109.7344	9.503	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,7|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	109.7344	9.503	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	109.7344	9.503	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H){2|H<1>,2|O<2>,5|C<4>}	O(C[5]C[5,5]C[5]H)(CH3)	109.3735	3.374	2	109.3735	11.381	2	109.3735	11.381	2	109.7344	9.503	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	105.7350	0.000	1	105.7350	0.000	1	105.7350	0.000	1	109.7344	9.503	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<4>,2|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	109.7344	9.503	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	109.7344	9.503	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	115.2200	0.000	1	115.2200	0.000	1	114.9967	0.207	3	114.4280	1.432	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.8850	0.583	2	114.8850	0.339	2	114.9967	0.207	3	114.4280	1.432	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[5]C[5,5]C[5]H)(H)	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	114.4280	1.432	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	111.8837	18.419	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	O(C[5]C[5,5]C[5]H)(SiC3)	114.3545	0.456	2	114.3545	0.208	2	114.3545	0.208	2	111.8837	18.419	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S){8|H<1>}	O(C[5]C[5,5]C[5]H)(H)	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	O(C[5]C[5,5]C[5]H)(H)	115.3210	0.000	1	115.3210	0.000	1	113.9315	3.861	2	112.8893	5.189	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3){2|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	112.5420	0.000	1	112.5420	0.000	1	113.9315	3.861	2	112.8893	5.189	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	112.8893	5.189	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	3:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H)	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]C[5]O)(CCHH)	109.3260	0.000	1	109.3260	0.000	1	110.2090	1.559	2	110.2090	1.559	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	3:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H)	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]OO)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,5]C[5]O)(CH3)	111.0920	0.000	1	111.0920	0.000	1	110.2090	1.559	2	110.2090	1.559	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5,5]2O[5])(SiC3)	114.0310	0.086	2	113.9610	0.018	3	113.9610	0.018	3	112.5556	26.741	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5]C[5,5]2O[5])(SiC3)	113.8210	0.000	1	113.9610	0.018	3	113.9610	0.018	3	112.5556	26.741	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2{1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]O)(CH3)	110.4475	9.598	2	110.4475	92.113	2	110.4475	92.113	2	112.5556	26.741	5	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	4:4:3:2:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,5]2O[5])(SiC3)	105.7800	0.021	2	105.9780	0.118	3	105.9780	0.118	3	105.9780	0.118	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	4:4:3:2:	4:4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	O(C[5]C[5,5]2O[5])(SiC3)	106.3740	0.000	1	105.9780	0.118	3	105.9780	0.118	3	105.9780	0.118	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H)	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2{1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]OO)(C[5]O[5]OO)(H){1|Cl<1>,1|C<3>,4|H<1>}	O(C[5]C[5,5]C[5]O)(CCHH)	110.6085	11.217	2	110.6085	125.817	2	110.6085	125.817	2	110.6085	125.817	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	108.0270	0.705	3	108.1575	0.310	6	108.1933	0.286	9	108.1933	0.286	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	108.2880	0.478	3	108.1575	0.310	6	108.1933	0.286	9	108.1933	0.286	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	108.1865	0.824	2	108.2650	0.358	3	108.1933	0.286	9	108.1933	0.286	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|O<2>,3|H<1>,6|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	108.4220	0.000	1	108.2650	0.358	3	108.1933	0.286	9	108.1933	0.286	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[6a]C[5])(C[5]C[5]CO)(H){2|O<1>,3|C<3>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	105.1630	0.000	1	105.1630	0.000	1	105.1630	0.000	1	105.1630	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	O(C[5]C[5,5]2C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH){3|C<4>,3|H<1>,4|O<2>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	O(C[5]C[5,5]2C[5])(H)	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H)	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi){1|C<4>,1|N<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(N[5]N[5])(H){1|C<4>,5|H<1>}	O(C[5]C[5,5]C[5]C)(SiC3)	105.9540	0.000	1	105.9540	0.000	1	105.9540	0.000	1	105.9540	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:2:3:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CO)(O[5]C[5])(COO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CO)(O[5]C[5])(COO){1|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<4>,2|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){2|C<4>,2|O<1>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	107.3350	0.000	1	107.3350	0.000	1	111.2440	15.927	3	111.2440	15.927	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|N<3>,2|O<1>,5|H<1>}	O(C[5]C[5,5]C[5]C)(H)	111.0850	0.000	1	111.0850	0.000	1	111.2440	15.927	3	111.2440	15.927	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	115.3120	0.000	1	115.3120	0.000	1	111.2440	15.927	3	111.2440	15.927	3	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])	O(C[5]C[5,5]2C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH){3|C<4>,3|H<1>,4|O<2>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[5]C[5,5]2C[5])(H)	104.6360	0.000	1	104.6360	0.000	1	104.6360	0.000	1	104.6360	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O){1|N<3>,2|C<3>,5|H<1>}	O(C[5]C[5,5]C[5]C)(H)	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	107.0541	4.398	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	108.2190	2.768	2	108.2190	7.660	2	107.0291	5.020	8	107.0541	4.398	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	105.9200	0.000	1	105.9200	0.000	1	107.0291	5.020	8	107.0541	4.398	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.9420	0.000	1	110.9420	0.000	1	107.0291	5.020	8	107.0541	4.398	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	104.8580	0.000	1	104.8580	0.000	1	107.0291	5.020	8	107.0541	4.398	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]C)(H)	106.1075	0.571	2	106.1075	0.326	2	107.0291	5.020	8	107.0541	4.398	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]C)(H)	105.8600	0.000	1	105.8600	0.000	1	107.0291	5.020	8	107.0541	4.398	9	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	109.1150	0.000	1	109.1150	0.000	1	112.5113	6.219	6	112.3109	5.464	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]C)(H)	109.8450	0.000	1	109.8450	0.000	1	112.5113	6.219	6	112.3109	5.464	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]C)(H)	112.5510	0.000	1	112.5510	0.000	1	112.5113	6.219	6	112.3109	5.464	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]C)(H)	114.7060	0.000	1	114.7060	0.000	1	112.5113	6.219	6	112.3109	5.464	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]C)(H)	114.0340	0.000	1	114.0340	0.000	1	112.5113	6.219	6	112.3109	5.464	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]C)(H)	114.8170	0.000	1	114.8170	0.000	1	112.5113	6.219	6	112.3109	5.464	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5]C[5,5]C[5]2)(H)	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	112.3109	5.464	7	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H)	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi){1|H<1>,1|N<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H){2|C<4>,7|H<1>}	O(C[5]C[5,5]C[5]C)(SiC3)	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:2:2:	4:4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH)	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH){2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]C)(SiC3)	112.2440	0.351	2	112.2440	0.123	2	112.2440	0.123	2	112.2440	0.123	2	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,5]C[5]C)(H)	104.9200	0.000	1	104.9200	0.000	1	104.9200	0.000	1	104.9200	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH){3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	O(C[5]C[5,5]C[5]C)(H)	111.6210	3.278	2	111.6210	10.746	2	111.1637	6.001	3	109.4907	15.195	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH){1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,5|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.2490	0.000	1	110.2490	0.000	1	111.1637	6.001	3	109.4907	15.195	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	104.4720	0.000	1	104.4720	0.000	1	104.4720	0.000	1	109.4907	15.195	4	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H)	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-4:N[5]-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[5,5]C[5]C)(H)	107.7520	0.000	1	107.7520	0.000	1	107.7520	0.000	1	107.7520	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH)	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O)	O(C[5]C[5,5]C[5,6]C)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O){2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5,6]C)(H)	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	108.8639	14.065	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH)	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O){6|H<1>}	O(C[5]C[5,5]C[5]C)(H)	111.0438	1.083	5	111.0438	1.173	5	109.9727	7.822	6	108.8639	14.065	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH)	C[5,5](C[5]C[5]CO)(C[5]C[5]HH)2(C[5]O[5]O)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HH)2(C[5]O[5]O){1|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]C)(H)	104.6170	0.000	1	104.6170	0.000	1	109.9727	7.822	6	108.8639	14.065	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C[5,5](C[5]C[5]CO)(C[5]C[5]HN)(C[5]O[5]CH)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[5]C[5,5]C[5]C)(H)	101.6750	0.000	1	101.6750	0.000	1	101.6750	0.000	1	108.8639	14.065	8	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:2:	4:4:4:3:	4:4:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC)	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O)	O(C[5]C[5,5]C[5,6]C)(CCHH)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O){2|C<4>,3|H<1>}	O(C[5]C[5,5]C[5,6]C)(CCHH)	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	110.8234	10.445	458	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:2:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	O(C[5]C[5,6,6]O[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	O(C[5]C[5,6,6]O[5]H)(H)	118.4385	0.549	2	118.4385	0.302	2	118.4385	0.302	2	118.4385	0.302	2	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6,6]C[5]H)(H)	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.7503	0.513	3	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	O(C[5]C[5,6,6]N[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5,6,6]N[5]H)(H)	112.8990	0.945	2	112.8990	0.892	2	112.8990	0.892	2	112.7503	0.513	3	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	O(C[5]C[5,6,6]N[5]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5,6,6]N[5]H)(CH3)	115.2740	0.000	1	115.2740	0.000	1	115.2740	0.000	1	115.2740	0.000	1	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	O(C[5]C[5,6,6]C[5,6a]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5,6,6]C[5,6a]H)(H)	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	113.8000	7.434	6	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	O(C[5]C[5,6,6]C[5]H)(H)	110.7875	0.347	2	110.7875	0.121	2	113.9948	9.008	5	113.8000	7.434	6	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5,6,6]C[5]H)(H)	116.0250	1.246	2	116.1330	0.811	3	113.9948	9.008	5	113.8000	7.434	6	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	116.3490	0.000	1	116.1330	0.811	3	113.9948	9.008	5	113.8000	7.434	6	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	O(C[5]C[5,6,6]C[6a]O[5])(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	O(C[5]C[5,6,6]C[6a]O[5])(H)	105.1230	0.000	1	105.1230	0.000	1	105.1230	0.000	1	105.1230	0.000	1	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:N[5]-3:C-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	O(C[5]C[5,6,6]N[5]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	O(C[5]C[5,6,6]N[5]C)(H)	109.8245	0.482	2	109.8245	0.232	2	109.8245	0.232	2	109.8245	0.232	2	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	O(C[5]C[5,6,6]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	O(C[5]C[5,6,6]C[5]C)(H)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	113.8260	0.195	2	113.8260	0.038	2	113.8260	0.038	2	113.8260	0.038	2	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	111.2147	2.569	3	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	112.1290	0.000	1	112.1290	0.000	1	112.1290	0.000	1	111.2147	2.569	3	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	111.2147	2.569	3	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	O(C[5]C[5,6,6]2H)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	O(C[5]C[5,6,6]2H)(CHHO)	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	115.6899	8.823	9	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	O(C[5]C[5,6,6]C[5,6]H)(CH3)	116.7085	1.659	4	117.0493	1.958	6	117.0493	1.958	6	115.6899	8.823	9	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	O(C[5]C[5,6,6]C[5,6]H)(CH3)	117.9950	0.000	1	117.0493	1.958	6	117.0493	1.958	6	115.6899	8.823	9	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	O(C[5]C[5,6,6]C[5,6]H)(CH3)	117.4670	0.000	1	117.0493	1.958	6	117.0493	1.958	6	115.6899	8.823	9	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	O(C[5]C[5,6,6]C[5]H)(CH3)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[5]C[5,6,6]C[5]H)(CH3)	111.8845	4.522	2	111.8845	20.448	2	111.8845	20.448	2	115.6899	8.823	9	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	O(C[5]C[5,6,6]2H)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	O(C[5]C[5,6,6]2H)(CHHO)	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	109.7630	1.794	2	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:C-4:	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH)	O(C[5]C[5,6,6]C[5]H)(CHHO)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH){1|C<3>,1|C<4>,8|H<1>}	O(C[5]C[5,6,6]C[5]H)(CHHO)	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	109.7630	1.794	2	113.3068	12.694	34	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	3:4:2:1:	3:4:4:1:	4:4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	O(C[5]C[5,6a]C[5,6]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6a]C[5,6]H)(SiC3)	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	3:4:2:1:	4:2:2:4:	4:1:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H)	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H){1|C<4>,3|C<3>,3|H<1>}	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>}	O(C[5]C[5,6a]C[5,6]H)(H)	114.5199	0.357	7	114.5199	0.127	7	114.5199	0.127	7	114.5199	0.127	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H){3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,6]H)(H)	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[5,5a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,5a]C[5,6]H)(CC[4]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,5a]C[5,6]H)(CC[4]CC)	105.1440	0.000	1	105.1440	0.000	1	105.1440	0.000	1	105.1440	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	3:4:4:2:	4:3:4:4:	4:1:	C[5,6a]-3:C[5,6]-4:C-4:O-2:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH)	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	O(C[5]C[5,6a]C[5,6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5,6]C)(H)	106.4690	0.000	1	106.4690	0.000	1	106.4690	0.000	1	106.4690	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	3:4:3:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	3:4:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(H)	112.6370	0.000	1	112.6370	0.000	1	112.6370	0.000	1	112.6370	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	3:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,2|S<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	3:4:4:2:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	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>}	O(C[5]C[5,6]O[5]H)(H)	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	3:4:4:4:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]O[5]H)(H)	113.5090	0.000	1	113.5090	0.000	1	113.5090	0.000	1	113.5090	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:3:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(H)	110.9130	0.000	1	112.0717	1.170	3	112.0717	1.170	3	112.0717	1.170	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:3:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	O(C[5]C[5,6]O[5]H)(H)	112.6510	0.571	2	112.0717	1.170	3	112.0717	1.170	3	112.0717	1.170	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	O(C[5]C[5,6]O[5]H)(CCHH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[5]C[5,6]O[5]H)(CCHH)	108.7150	0.000	2	108.7150	0.000	2	107.9557	1.059	4	107.9557	1.059	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	107.8560	0.000	1	107.1965	0.870	2	107.9557	1.059	4	107.9557	1.059	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	106.5370	0.000	1	107.1965	0.870	2	107.9557	1.059	4	107.9557	1.059	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(H)	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.6305	1.183	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[5]C[5,6]O[5]H)(H)	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	109.6305	1.183	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H){1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[5]C[5,6]O[5]H)(H)	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	109.6305	1.183	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(H)	108.8815	0.590	2	108.7917	0.199	3	108.7917	0.199	3	109.6305	1.183	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]O[5]H)(H)	108.6120	0.000	1	108.7917	0.199	3	108.7917	0.199	3	109.6305	1.183	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	108.8155	0.954	2	108.8155	0.910	2	108.6690	0.368	4	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	108.5225	0.327	2	108.5225	0.107	2	108.6690	0.368	4	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	108.5750	0.000	1	108.5580	0.001	2	108.5580	0.001	2	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]CH)(C[5]O[5]HO)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	108.5410	0.000	1	108.5580	0.001	2	108.5580	0.001	2	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	109.8513	0.731	3	109.8830	0.360	4	109.8830	0.360	4	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	109.9780	0.000	1	109.8830	0.360	4	109.8830	0.360	4	109.4026	0.942	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:4:	4:1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]O[5]H)(H)	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:2:1:	4:4:4:4:	4:4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]O[5]H)(CH3)	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:3:2:	3:4:4:1:	4:1:	C[5,6]-4:O[5]-2:C-3:O-2:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[5]C[5,6]O[5]C)(H)	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:4:2:	4:4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H)	O(C[5]C[5,6]O[5]C)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[5]C[5,6]O[5]C)(CH3)	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	O(C[5]C[5,6]O[5]C)(H)	108.4315	0.450	2	108.4315	0.203	2	108.4315	0.203	2	108.7263	0.362	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[5]C[5,6]O[5]C)(H)	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	108.7263	0.362	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|C<4>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6]H)(H)	115.3370	0.000	1	115.9083	0.984	3	115.9083	0.984	3	115.9083	0.984	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|H<1>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6]H)(H)	116.1940	1.216	2	115.9083	0.984	3	115.9083	0.984	3	115.9083	0.984	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:3:4:3:	4:1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	O(C[5]C[5,6a]C[5,6]H)(H)	116.2887	0.381	3	116.2887	0.145	3	116.2887	0.145	3	116.2887	0.145	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:3:4:4:	4:1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|C<4>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6]H)(H)	116.1840	0.000	1	116.2320	0.005	2	116.2320	0.005	2	116.2320	0.005	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:3:4:4:	4:1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|H<1>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6]H)(H)	116.2800	0.000	1	116.2320	0.005	2	116.2320	0.005	2	116.2320	0.005	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:4:3:1:	4:1:	C[5,6]-4:N[5]-3:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H)	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H)	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6]N[5]H)(H)	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5,6]C[5]H)(H)	114.8730	0.000	1	114.8730	0.000	1	114.8730	0.000	1	113.5765	3.362	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H){1|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	113.5765	3.362	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5,6]C[5]H)(CH3)	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:3:4:2:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6]C[5]H)(H)	112.0990	0.617	2	112.0990	0.380	2	112.0990	0.380	2	112.0990	0.380	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	111.1000	4.978	3	111.1000	24.777	3	111.1000	24.777	3	111.1000	24.777	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:2:3:	4:1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[5]C[5,6a]C[5,6]H)(H)	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	115.1575	21.054	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:2:3:	4:1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	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)	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	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>}	O(C[5]C[5,6a]C[5,6]H)(H)	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	115.1575	21.054	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.5503	3.189	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H)	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O(C[5]C[5,6]N[5]H)(H)	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	111.5503	3.189	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H)	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6]N[5]H)(H)	110.2055	0.090	2	110.2055	0.008	2	110.2055	0.008	2	111.5503	3.189	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.9480	0.000	1	112.9480	0.000	1	112.9480	0.000	1	112.9480	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6]2H)(H)	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	113.9382	6.811	5	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	113.9382	6.811	5	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.0930	0.000	1	113.0930	0.000	1	113.0930	0.000	1	113.9382	6.811	5	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H){5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.9315	2.785	2	115.9315	7.758	2	115.9315	7.758	2	113.9382	6.811	5	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]2H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5,6]2H)(CH3)	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.6170	0.412	2	111.6170	0.169	2	111.6170	0.169	2	111.6170	0.169	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5,6]C[5]H)(H)	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H)	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	116.4730	1.747	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3){1|O<2>,2|O<1>,4|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	116.4730	1.747	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	117.0733	1.073	4	117.0733	1.152	4	116.9520	0.938	5	116.4730	1.747	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	116.4670	0.000	1	116.4670	0.000	1	116.9520	0.938	5	116.4730	1.747	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	O(C[5]C[5,6]N[5]H)(H)	115.0800	0.000	1	115.0800	0.000	1	115.0800	0.000	1	116.4730	1.747	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:Si-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2	O(C[5]C[5,6]C[5]H)(SiC[6a]3)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[5]C[5,6]C[5]H)(SiC[6a]3)	114.8470	0.000	1	114.8470	0.000	1	114.8470	0.000	1	114.8470	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:2:	3:4:4:1:	4:1:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	O(C[5]C[5,6]C[6a]O[5])(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	O(C[5]C[5,6]C[6a]O[5])(H)	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-3:O-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]O)(CH3)	111.9783	7.434	4	111.9783	55.263	4	111.9783	55.263	4	111.9783	55.263	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	114.5955	0.059	2	114.5955	0.003	2	114.5955	0.003	2	114.5955	0.003	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:3:2:2:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,4|C<3>,4|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:3:4:4:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	109.6530	0.970	2	109.6530	0.941	2	109.6530	0.941	2	109.6530	0.941	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	O(C[5]C[5,6]C[6a]C[5])(H)	105.7640	0.000	1	105.7640	0.000	1	105.7640	0.000	1	108.8177	12.295	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5,6]-4:N[5]-3:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]N[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]N[5]C)(H)	110.3445	3.256	2	110.3445	10.603	2	110.3445	10.603	2	108.8177	12.295	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	105.6130	0.655	2	105.6130	0.429	2	105.6767	0.227	3	105.6767	0.227	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3)	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	105.8040	0.000	1	105.8040	0.000	1	105.6767	0.227	3	105.6767	0.227	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:3:3:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.9105	1.361	2	110.9105	1.853	2	112.4777	8.294	3	112.4777	8.294	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	115.6120	0.000	1	115.6120	0.000	1	112.4777	8.294	3	112.4777	8.294	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.1750	0.000	1	107.1750	0.000	1	106.9885	0.070	2	107.4997	0.819	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.8020	0.000	1	106.8020	0.000	1	106.9885	0.070	2	107.4997	0.819	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	107.4997	0.819	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6]C[5]C)(CH3)	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	2:2:4:3:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.7750	0.451	2	111.7750	0.204	2	111.7750	0.204	2	111.7750	0.204	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	2:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	2:4:3:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	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>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	114.4800	0.000	1	114.4800	0.000	1	114.4800	0.000	1	114.4800	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H)	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	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>}	O(C[5]C[5,5]C[5,6]H)(H)	113.4240	2.401	2	113.4240	5.766	2	113.4240	5.766	2	112.3087	6.615	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	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>}	O(C[5]C[5,6]C[5]H)(H)	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	112.3087	6.615	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	2:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	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>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	107.6950	0.403	2	107.6950	0.162	2	107.6950	0.162	2	107.6950	0.162	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]2H)(H)	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.0975	0.293	2	111.0975	0.086	2	111.0975	0.086	2	111.0975	0.086	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:3:2:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5]-4:C-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CHHO)	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	O(C[5]C[5,6]C[5]H)(H)	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	108.7310	0.000	1	108.7310	0.000	1	109.8071	2.012	7	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.4150	0.000	1	110.6757	1.239	3	109.8071	2.012	7	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.0890	0.000	1	110.6757	1.239	3	109.8071	2.012	7	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.5230	0.000	1	110.6757	1.239	3	109.8071	2.012	7	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	108.3500	0.103	2	108.3500	0.011	2	109.8071	2.012	7	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.1920	0.000	1	111.1920	0.000	1	109.8071	2.012	7	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	110.1050	2.398	9	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CH3)	109.3300	0.000	1	109.3300	0.000	1	107.8690	4.269	2	108.5933	3.708	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CH3)	106.4080	0.000	1	106.4080	0.000	1	107.8690	4.269	2	108.5933	3.708	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	108.5933	3.708	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.3870	0.000	1	114.2630	2.527	2	114.2630	2.527	2	114.2630	2.527	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.1390	0.000	1	114.2630	2.527	2	114.2630	2.527	2	114.2630	2.527	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	111.8150	2.281	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	111.8150	2.281	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H){1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[5]C[5,6]C[5]H)(H)	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	113.4117	12.604	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	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>}	O(C[5]C[5,6]C[5]H)(H)	111.3900	0.827	2	111.3900	0.684	2	111.3900	0.684	2	113.4117	12.604	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H)	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	O(C[5]C[5,5]C[5,6]H)(SiC3)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H){1|C<2>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	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>}	O(C[5]C[5,5]C[5,6]H)(SiC3)	113.7875	0.169	2	113.7875	0.029	2	113.7875	0.029	2	113.7875	0.029	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.4758	2.209	6	110.4758	4.880	6	110.4758	4.880	6	111.1870	7.607	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	111.1870	7.607	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.9020	0.000	1	111.9020	0.000	1	111.9020	0.000	1	111.9020	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.8165	0.743	2	111.8165	0.552	2	111.8165	0.552	2	111.8165	0.552	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH){4|C<4>,8|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.7005	1.196	2	112.7005	1.430	2	113.6567	3.458	3	113.1720	12.023	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH){5|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.5690	0.000	1	115.5690	0.000	1	113.6567	3.458	3	113.1720	12.023	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	111.4160	3.326	4	111.4160	11.061	4	111.4160	11.061	4	113.1720	12.023	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	118.7420	0.000	1	118.7420	0.000	1	118.7420	0.000	1	113.1720	12.023	8	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.7656	0.322	5	113.7656	0.104	5	113.0224	1.370	17	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.7444	0.597	5	112.7444	0.357	5	113.0224	1.370	17	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.9740	0.000	1	114.9740	0.000	1	113.0224	1.370	17	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.5670	0.976	3	112.5670	0.952	3	113.0224	1.370	17	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.2750	0.000	1	114.2750	0.000	1	113.0224	1.370	17	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.3620	0.000	1	111.3620	0.000	1	113.0224	1.370	17	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.5180	0.000	1	110.5180	0.000	1	113.0224	1.370	17	112.9855	1.497	20	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	116.0830	0.000	1	116.0830	0.000	1	112.8100	21.425	2	112.2273	8.999	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	109.5370	0.000	1	109.5370	0.000	1	112.8100	21.425	2	112.2273	8.999	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	107.9070	0.000	1	112.3700	15.277	3	111.9942	7.904	5	112.2273	8.999	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	114.6015	0.822	2	112.3700	15.277	3	111.9942	7.904	5	112.2273	8.999	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.4305	0.053	2	111.4305	0.003	2	111.9942	7.904	5	112.2273	8.999	7	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H){1|H<1>,4|C<4>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2{1|O<2>,4|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.3790	2.720	2	113.3790	7.396	2	113.3790	7.396	2	112.4940	6.048	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:H-1:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	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>}	O(C[5]C[5,6]C[5]H)(H)	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	112.4940	6.048	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5]-2:O[6]-2:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6])	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	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>}	O(C[5]C[5,6]C[5]H)(CH3)	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.4605	0.141	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:N[5]-2:O[6]-2:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6])	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	O(C[5]C[5,6]C[5]H)(CH3)	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	111.4605	0.141	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3){1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.6165	0.933	2	113.6165	0.870	2	113.6165	0.870	2	113.6165	0.870	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.2960	0.000	1	110.0925	9.711	2	110.0925	9.711	2	111.2125	4.635	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	107.8890	0.000	1	110.0925	9.711	2	110.0925	9.711	2	111.2125	4.635	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H){1|C<3>,1|O<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.9920	0.000	1	111.9920	0.000	1	111.9390	0.006	2	111.2125	4.635	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.8860	0.000	1	111.8860	0.000	1	111.9390	0.006	2	111.2125	4.635	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.6060	3.096	2	111.6060	9.583	2	111.6060	9.583	2	111.2125	4.635	6	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6])	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(CH3)	106.9990	0.000	1	106.9990	0.000	1	109.9483	17.646	4	109.9483	17.646	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6])	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CH3)	110.9313	4.546	3	110.9313	20.670	3	109.9483	17.646	4	109.9483	17.646	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO){2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.2267	0.660	3	112.2267	0.436	3	112.2267	0.436	3	113.3160	3.216	5	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.9500	1.758	2	114.9500	3.090	2	114.9500	3.090	2	113.3160	3.216	5	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,5,6]C[5,6]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	O(C[5]C[5,5,6]C[5,6]H)(H)	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	O(C[5]C[3,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[5]C[3,5]C[5,6]H)(H)	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	O(C[5]C[5,6]2H)(H)	113.8510	0.000	1	113.8510	0.000	1	113.8510	0.000	1	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.1370	0.679	2	112.1370	0.461	2	112.5927	0.853	3	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.5040	0.000	1	113.5040	0.000	1	112.5927	0.853	3	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.3940	0.000	1	114.9655	0.367	2	113.6685	2.365	4	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.5370	0.000	1	114.9655	0.367	2	113.6685	2.365	4	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.3670	0.000	1	112.3670	0.000	1	113.6685	2.365	4	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	O(C[5]C[5,6]C[5]H)(H)	112.3760	0.000	1	112.3760	0.000	1	113.6685	2.365	4	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.4990	0.000	1	112.1375	13.923	2	112.1375	13.923	2	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.7760	0.000	1	112.1375	13.923	2	112.1375	13.923	2	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.6835	0.965	2	114.6835	0.932	2	111.9174	7.688	7	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.1270	0.000	1	113.1270	0.000	1	111.9174	7.688	7	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.7230	0.000	1	111.0260	14.548	2	111.9174	7.688	7	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	108.3290	0.000	1	111.0260	14.548	2	111.9174	7.688	7	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.4380	0.000	2	109.4380	0.000	2	111.9174	7.688	7	112.0206	5.772	21	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	O(C[5]C[5,6,6]C[5,6]H)(CH3)	109.4780	0.122	3	110.4760	1.243	6	110.4760	1.243	6	110.6073	2.449	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	O(C[5]C[5,6,6]C[5,6]H)(CH3)	111.6600	0.062	2	110.4760	1.243	6	110.4760	1.243	6	110.6073	2.449	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	O(C[5]C[5,6,6]C[5,6]H)(CH3)	111.1020	0.000	1	110.4760	1.243	6	110.4760	1.243	6	110.6073	2.449	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]2H)(CHHO)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	O(C[5]C[5,6]2H)(CHHO)	109.4550	0.000	1	109.4550	0.000	1	111.5265	8.582	2	110.6073	2.449	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]2H)(CHHO)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	O(C[5]C[5,6]2H)(CHHO)	113.5980	0.000	1	113.5980	0.000	1	111.5265	8.582	2	110.6073	2.449	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H)	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	O(C[5]C[5,6]C[5]H)(CHHO)	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	110.6073	2.449	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	110.6073	2.449	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	115.0920	0.000	1	115.0920	0.000	1	116.3455	3.143	2	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	O(C[5]C[5,5]C[5,6]H)(H)	117.5990	0.000	1	117.5990	0.000	1	116.3455	3.143	2	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	106.6920	0.000	1	106.6920	0.000	1	110.5738	7.423	4	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.4425	1.046	2	111.4425	1.094	2	110.5738	7.423	4	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.7180	0.000	1	112.7180	0.000	1	110.5738	7.423	4	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	108.2940	0.611	3	108.2940	0.374	3	108.2940	0.374	3	111.3329	10.456	12	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO){1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.9905	0.066	2	112.9905	0.004	2	112.9905	0.004	2	113.7247	1.619	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	115.1930	0.000	1	115.1930	0.000	1	115.1930	0.000	1	113.7247	1.619	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:Si-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	109.5855	0.042	2	109.9650	0.433	3	109.9650	0.433	3	109.9650	0.433	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:Si-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|F<1>,1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	110.7240	0.000	1	109.9650	0.433	3	109.9650	0.433	3	109.9650	0.433	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.6148	3.167	4	113.6148	10.033	4	113.5362	7.556	5	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,3|O<2>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.2220	0.000	1	113.2220	0.000	1	113.5362	7.556	5	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|N<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|S<2>,3|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.3440	0.000	1	114.3440	0.000	1	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.3500	0.000	1	112.3500	0.000	1	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	117.6220	0.000	1	115.5987	1.769	6	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.1940	0.991	5	115.5987	1.769	6	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.1125	2.177	2	114.1125	4.740	2	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.6820	0.000	1	114.8247	5.814	3	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.1020	0.000	1	114.8247	5.814	3	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,8|H<1>}	O(C[5]C[5,6]C[5]H)(H)	116.6900	0.000	1	114.8247	5.814	3	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	116.1490	0.000	1	115.3101	2.482	37	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.2868	1.591	36	115.3101	2.482	37	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.4230	0.000	1	113.2785	1.464	2	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.1340	0.000	1	113.2785	1.464	2	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	116.3710	0.000	1	116.3710	0.000	1	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.7750	3.461	2	113.7750	11.976	2	115.0898	2.837	55	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.5183	3.051	6	113.5183	9.307	6	113.5183	9.307	6	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){5|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.6035	0.938	2	115.6035	0.880	2	115.0850	1.247	3	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,5|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.0480	0.000	1	114.0480	0.000	1	115.0850	1.247	3	114.7593	4.156	70	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC3)	111.1794	0.753	5	111.1794	0.567	5	111.3656	1.064	10	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC3)	112.8590	0.000	1	112.8590	0.000	1	111.3656	1.064	10	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC3)	110.2725	0.125	2	110.2725	0.016	2	111.3656	1.064	10	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	112.9440	0.000	1	112.9440	0.000	1	111.3656	1.064	10	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CH3)	111.4110	0.000	1	111.4110	0.000	1	111.3656	1.064	10	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	114.2825	0.767	2	114.2825	0.589	2	112.7357	3.613	4	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.7730	0.000	1	111.7730	0.000	1	112.7357	3.613	4	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	110.6050	0.000	1	110.6050	0.000	1	112.7357	3.613	4	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	O(C[5]C[5,6]C[5]H)(CC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CC3)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2{2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(CH3)	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:Si-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2{2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	112.7090	0.000	1	112.7090	0.000	1	112.7090	0.000	1	111.5372	2.571	17	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	3:3:4:4:	4:4:	C[5,6]-4:C[3]-4:O[5]-2:O-2:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5]-4:Si-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3)	O(C[5]C[5,6]C[3]O[5])(SiC3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6]C[3]O[5])(SiC3)	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	113.6936	1.785	7	113.6936	3.187	7	112.9289	4.398	56	112.9516	4.349	57	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	112.4125	3.464	2	112.8197	4.544	49	112.9289	4.398	56	112.9516	4.349	57	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	114.5630	0.000	1	112.8197	4.544	49	112.9289	4.398	56	112.9516	4.349	57	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	115.3400	0.000	1	112.8197	4.544	49	112.9289	4.398	56	112.9516	4.349	57	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	112.7430	2.111	45	112.8197	4.544	49	112.9289	4.398	56	112.9516	4.349	57	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]O[5])(H)	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	112.9516	4.349	57	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(CH3)	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.7325	0.565	2	109.7325	0.319	2	109.7325	0.319	2	109.7325	0.319	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	115.6550	0.000	1	115.6550	0.000	1	110.8897	11.177	4	110.8897	11.177	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.3013	1.275	3	109.3013	1.626	3	110.8897	11.177	4	110.8897	11.177	4	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.2560	0.000	1	110.1273	4.619	4	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.7510	2.465	3	110.1273	4.619	4	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.2645	0.497	2	106.9984	0.518	5	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.4877	0.125	3	106.9984	0.518	5	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	113.7830	0.000	1	113.7830	0.000	1	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	113.4730	0.000	1	113.4730	0.000	1	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.9350	0.280	3	108.8844	10.020	10	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.0040	0.000	1	108.8844	10.020	10	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	115.1210	0.000	1	108.8844	10.020	10	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.2817	0.197	3	108.8844	10.020	10	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.0345	4.980	2	108.8844	10.020	10	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.0760	0.000	1	106.0760	0.000	1	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.4985	3.072	2	109.4985	9.440	2	109.0281	8.379	24	109.0281	8.379	24	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	3:3:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.4903	2.121	3	109.4903	4.501	3	109.4903	4.501	3	109.4903	4.501	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	3:4:2:2:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5]-4:H-1:	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH){1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	O(C[5]C[5,6]C[5]C)(H)	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5,6]C[5]C)(H)	108.9423	1.251	3	108.9423	1.565	3	108.9423	1.565	3	108.9423	1.565	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.3413	0.716	3	106.3413	0.513	3	106.3413	0.513	3	106.3413	0.513	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.0395	0.449	2	111.0395	0.202	2	110.7950	0.280	3	110.7950	0.280	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.3060	0.000	1	110.3060	0.000	1	110.7950	0.280	3	110.7950	0.280	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	105.0400	0.000	1	105.0400	0.000	1	107.9885	17.387	2	108.6153	9.872	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|O<2>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.9370	0.000	1	110.9370	0.000	1	107.9885	17.387	2	108.6153	9.872	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	108.6153	9.872	3	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	O(C[5]C[5,5]C[5,6]C)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,5]C[5,6]C)(H)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH){2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]O[5,6]C[5]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.5420	0.000	2	111.5420	0.000	2	111.5420	0.000	2	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	104.4550	0.000	1	104.4550	0.000	1	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.0610	0.000	1	109.0610	0.000	1	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.3545	0.445	2	106.3545	0.198	2	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.8273	2.271	3	106.8273	5.157	3	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.5940	0.000	1	107.5940	0.000	1	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	105.4250	0.000	1	107.9037	4.638	7	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.3168	2.033	6	107.9037	4.638	7	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.7805	0.838	2	108.7805	0.702	2	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.7880	0.000	1	106.7880	0.000	1	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.2285	0.515	8	111.2285	0.266	8	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.5650	0.000	1	107.5650	0.000	1	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	105.9360	0.858	2	105.9360	0.737	2	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.5270	0.000	1	108.5270	0.000	1	108.3923	5.364	30	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	108.7256	5.457	36	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	O(C[5]C[5,5]C[5,6]C)(CCHH)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,5]C[5,6]C)(CCHH)	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	104.6155	7.940	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(CH3)	102.6230	0.000	1	102.6230	0.000	1	102.6230	0.000	1	104.6155	7.940	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.1220	0.000	1	107.1220	0.000	1	106.5458	2.642	9	106.2822	3.043	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.9290	0.890	2	106.1290	2.351	7	106.5458	2.642	9	106.2822	3.043	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	105.8090	1.697	5	106.1290	2.351	7	106.5458	2.642	9	106.2822	3.043	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.8870	0.000	1	108.8870	0.000	1	106.5458	2.642	9	106.2822	3.043	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	103.9100	0.000	1	103.9100	0.000	1	103.9100	0.000	1	106.2822	3.043	10	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	107.6470	0.161	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	107.6470	0.161	2	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.7320	0.000	1	108.7320	0.000	1	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.3425	0.329	2	110.3425	0.108	2	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.7090	0.000	1	111.7090	0.000	1	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){1|C<3>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.3860	0.699	2	110.3860	0.488	2	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.9520	0.000	1	109.9520	0.000	1	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	112.1520	0.000	1	112.1520	0.000	1	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	111.4661	1.864	43	111.4661	3.475	43	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(H)	113.6420	0.000	1	113.6420	0.000	1	111.3593	3.252	52	111.3593	3.252	52	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)(CH3)	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	111.6592	9.740	569	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	3:3:4:2:	4:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH)	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH){2|H<1>,8|C<3>}	O(C[5]C[5,6a]2C[5])(H)	105.6890	2.933	4	105.6890	8.600	4	105.6890	8.600	4	105.8750	6.623	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	3:3:4:2:	4:1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH){2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH){2|O<1>,4|C<3>}	O(C[5]C[5]3)(H)	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	105.8750	6.623	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:2:1:1:	4:1:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>}	O(C[5]C[5,6]C[6a]C[5])(H)	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	107.8980	8.678	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:2:1:1:	4:1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|N<2>,3|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	107.8980	8.678	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:1:	4:1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	112.1570	0.000	1	112.1570	0.000	1	109.1767	6.664	3	109.0102	4.553	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:1:	4:1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.6865	0.063	2	107.6865	0.004	2	109.1767	6.664	3	109.0102	4.553	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:1:1:	4:1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	109.0102	4.553	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:2:1:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H){4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(CH3)	102.8980	0.000	1	102.8980	0.000	1	102.8980	0.000	1	102.8980	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:3:4:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<1>,1|O<2>,7|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	O(C[5]C[5,6a]C[5]2)(H)	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	108.9892	8.585	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2{4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	106.5985	0.086	2	106.5985	0.007	2	106.5985	0.007	2	108.9892	8.585	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:N[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2{1|N<2>,1|S<2>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	108.9892	8.585	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:4:1:1:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC){1|C<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2{4|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	104.5000	0.000	1	104.5000	0.000	1	104.5000	0.000	1	104.5000	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	O(C[5]C[5,6a]2C[5])(H)	105.3020	0.000	1	105.3020	0.000	1	105.3020	0.000	1	108.2820	17.761	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:3:4:2:	4:4:3:1:	4:1:	C[5]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<1>,4|H<1>}	O(C[5]C[5]3)(H)	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	108.2820	17.761	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2{1|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:1:1:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	O(C[5]C[5]2H)(CH3)	106.0300	0.000	1	106.0300	0.000	1	106.0300	0.000	1	106.0300	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:2:1:	4:1:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|O<1>,3|C<3>}	O(C[5]C[5]N[5]H)(H)	112.6700	0.000	1	112.6700	0.000	1	110.9446	4.393	10	110.9446	4.393	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:2:1:	4:1:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H)	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|O<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	O(C[5]C[5]N[5]H)(H)	113.9820	0.000	1	113.9820	0.000	1	110.9446	4.393	10	110.9446	4.393	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:2:1:	4:1:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){1|S<1>,3|C<3>}	O(C[5]C[5]N[5]H)(H)	109.7820	2.058	2	109.7820	4.234	2	110.9446	4.393	10	110.9446	4.393	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:2:1:	4:1:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	O(C[5]C[5]N[5]H)(H)	111.1485	2.147	4	110.5383	3.881	6	110.9446	4.393	10	110.9446	4.393	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:2:1:	4:1:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|Se<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|Se<1>,3|C<3>}	O(C[5]C[5]N[5]H)(H)	109.3180	1.052	2	110.5383	3.881	6	110.9446	4.393	10	110.9446	4.393	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:2:1:	4:4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	O(C[5]C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	O(C[5]C[5]N[5]H)(CCHH)	112.7565	1.351	2	112.7565	1.826	2	111.5710	3.336	4	111.5710	3.336	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:2:1:	4:4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	O(C[5]C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){1|S<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	O(C[5]C[5]N[5]H)(CH3)	110.3855	1.600	2	110.3855	2.561	2	111.5710	3.336	4	111.5710	3.336	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	3:4:4:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H){1|N<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.7140	0.000	1	113.7140	0.000	1	113.7140	0.000	1	113.7140	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:2:1:1:	4:1:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[5](C[5]N[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|S<1>,2|C<3>}	C[5](C[5]N[5]HO)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	O(C[5]C[5]N[5]H)(H)	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:2:3:1:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H){2|C<3>}	O(C[5]C[5,6]C[5]H)(H)	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	112.1525	1.970	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:2:3:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	112.1525	1.970	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:2:3:3:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2{1|C<3>,1|N<2>}	O(C[5]C[5,6a]C[5]H)(H)	110.7815	1.648	2	110.7815	2.717	2	110.7815	2.717	2	110.7815	2.717	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:2:4:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.0020	0.877	2	112.0020	0.769	2	112.0020	0.769	2	112.0020	0.769	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:1:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	111.8375	2.699	2	111.8375	7.285	2	112.5457	5.147	3	112.5457	5.147	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:1:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.9620	0.000	1	113.9620	0.000	1	112.5457	5.147	3	112.5457	5.147	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:1:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(CH3)	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	113.8155	0.557	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:1:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.8155	0.557	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:2:1:	4:1:	N[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H)	O(C[5]N[5,6a]C[5]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H){1|C<3>,1|N<2>}	O(C[5]N[5,6a]C[5]H)(H)	114.0090	0.000	1	114.0090	0.000	1	114.0090	0.000	1	114.0090	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:2:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	O(C[5]C[5,6a]C[5]H)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CCCH)	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:2:4:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.7590	0.000	1	113.7590	0.000	1	113.7590	0.000	1	113.7590	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:3:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:3:3:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:3:4:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:4:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	O(C[5]C[5,6a]C[5]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H){1|Br<1>,1|C<2>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(SiC3)	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.7537	0.932	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:4:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	113.3605	1.149	2	113.3605	1.320	2	113.3605	1.320	2	112.7537	0.932	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:4:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	O(C[5]C[5,6a]C[5]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(SiC3)	112.1160	0.000	1	112.1160	0.000	1	112.1160	0.000	1	112.7537	0.932	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:3:4:4:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,5]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H){1|H<1>,5|C<4>}	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[5]C[5,6,6]C[5]H)(H)	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	O(C[5]C[5,6]C[5]H)(H)	112.5050	0.000	1	112.5050	0.000	1	112.4347	0.949	3	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	O(C[5]C[5,6]C[5]H)(H)	113.3720	0.000	1	113.3720	0.000	1	112.4347	0.949	3	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	O(C[5]C[5,6]C[5]H)(H)	111.4270	0.000	1	111.4270	0.000	1	112.4347	0.949	3	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.5480	0.000	1	113.5480	0.000	1	112.8667	2.854	8	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.3480	0.000	1	112.3480	0.000	1	112.8667	2.854	8	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.6832	2.151	5	112.6832	4.626	5	112.8667	2.854	8	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	O(C[5]C[5,6a]C[5]H)(H)	113.6220	0.000	1	113.6220	0.000	1	112.8667	2.854	8	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5]-3:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2{1|O<1>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(H)	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.9322	2.063	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:3:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(NC[6a]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(NC[6a]C)	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5,5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	O(C[5]C[5,5a]C[5]H)(CC3)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	O(C[5]C[5,5a]C[5]H)(CC3)	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(CC3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	O(C[5]C[5,6a]C[5]H)(CC3)	111.2070	0.065	2	111.2070	0.004	2	109.2485	3.915	15	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	O(C[5]C[5,6a]C[5]H)(CCHH)	108.7907	2.196	6	108.7907	4.824	6	109.2485	3.915	15	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	O(C[5]C[5,6a]C[5]H)(CH3)	109.0620	2.076	6	109.0620	4.308	6	109.2485	3.915	15	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	O(C[5]C[5,6a]C[5]H)(CH3)	109.1970	0.000	1	109.1970	0.000	1	109.2485	3.915	15	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[5]2H)(CH3)	111.2740	0.250	2	111.2740	0.063	2	111.7180	0.623	3	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	O(C[5]C[5]2H)(CCHH)	112.6060	0.000	1	112.6060	0.000	1	111.7180	0.623	3	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2	O(C[5]N[5,6]C[5]H)(CCHH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2{1|O<1>,2|C<3>}	O(C[5]N[5,6]C[5]H)(CCHH)	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	109.6665	4.046	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H){1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:2:1:	4:3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	O(C[5]C[5,6a]C[5]H)(NOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(NOO)	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:2:4:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO){1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	119.4330	0.000	1	119.4330	0.000	1	119.4330	0.000	1	119.4330	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	112.0887	7.276	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	112.6330	0.000	1	112.6330	0.000	1	111.7720	3.641	3	112.0887	7.276	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	111.3415	2.484	2	111.3415	6.171	2	111.7720	3.641	3	112.0887	7.276	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	111.1160	4.303	2	111.1160	18.520	2	111.1160	18.520	2	112.0887	7.276	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:3:4:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.3510	0.000	1	113.3510	0.000	1	114.0020	1.050	3	114.6003	1.664	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	114.3275	1.210	2	114.3275	1.464	2	114.0020	1.050	3	114.6003	1.664	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.7640	0.000	1	113.7640	0.000	1	113.7640	0.000	1	114.6003	1.664	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	115.9160	0.991	2	115.9160	0.983	2	115.9160	0.983	2	114.6003	1.664	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:1:	4:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)(CH3)	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:4:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	113.6660	0.000	1	113.6660	0.000	1	114.5900	0.682	3	114.5900	0.682	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:4:	4:1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3)	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3){2|C<3>}	O(C[5]C[5,6a]C[5]H)(H)	115.0520	0.287	2	115.0520	0.082	2	114.5900	0.682	3	114.5900	0.682	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:1:	4:4:4:4:	4:4:	N[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2	O(C[5]C[5]N[5]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2{1|C<3>,2|C<4>}	O(C[5]C[5]N[5]H)2	115.6150	0.120	2	115.6150	0.014	2	115.6150	0.014	2	115.6150	0.014	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:2:1:1:	4:1:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|C<4>,2|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	106.3080	0.000	1	106.3080	0.000	1	106.3080	0.000	1	106.3080	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:3:1:1:	4:1:	C[5a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH)	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2	O(C[5]C[5a]C[5]O[5])(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2{1|O<2>,3|C<3>}	O(C[5]C[5a]C[5]O[5])(H)	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:3:3:2:	4:4:	C[5,6a]-3:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH)	O(C[5]C[5,6a]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH){2|C<3>}	O(C[5]C[5,6a]C[5]O)(CH3)	110.6190	7.459	2	110.6190	55.630	2	110.6190	55.630	2	110.6190	55.630	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:3:4:4:	4:1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2{4|C<3>}	O(C[5]C[6a]C[5]O[5])(H)	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:4:1:1:	4:2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2	O(C[5]C[6a]C[5]O[5])(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2{2|C<3>}	O(C[5]C[6a]C[5]O[5])(OH)	104.2550	0.158	2	104.2550	0.025	2	104.2550	0.025	2	104.2550	0.025	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:4:2:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[6a]C[5]O[5])(SiC3)	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:4:3:4:	4:1:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]O[5])(H)	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:4:4:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H)	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[6a]C[5]O[5])(SiC3)	110.3480	0.000	1	110.3480	0.000	1	110.2425	0.022	2	110.2425	0.022	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:4:4:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H)	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H){2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]O[5])(SiC3)	110.1370	0.000	1	110.1370	0.000	1	110.2425	0.022	2	110.2425	0.022	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:2:2:	4:4:4:4:	4:1:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,6]C[5]O[5])(H)	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	110.7723	8.052	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	112.2553	0.292	3	110.5732	9.767	5	110.5732	9.767	5	110.7723	8.052	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	105.0770	0.000	1	110.5732	9.767	5	110.5732	9.767	5	110.7723	8.052	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.0230	0.000	1	110.5732	9.767	5	110.5732	9.767	5	110.7723	8.052	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:2:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.9530	0.000	1	111.9530	0.000	1	110.9783	0.715	3	110.7738	0.644	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:2:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	110.4910	0.071	2	110.4910	0.005	2	110.9783	0.715	3	110.7738	0.644	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:2:	4:1:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(H)	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.7738	0.644	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:2:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	105.3580	0.000	1	105.3580	0.000	1	105.3580	0.000	1	105.4240	20.186	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:2:	4:4:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	107.4745	5.988	2	107.4745	35.862	2	105.4460	30.275	3	105.4240	20.186	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:3:2:	4:4:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	O(C[5]C[5,6a]C[6a]C[5])(CH3)	101.3890	0.000	1	101.3890	0.000	1	105.4460	30.275	3	105.4240	20.186	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:4:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	3:4:4:4:	4:1:	N[5]-3:C[5]-4:C-3:O-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH)	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2{3|C<3>}	O(C[5]C[5]N[5]C)(H)	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	110.6670	0.000	1	108.7890	6.335	3	108.7890	6.335	3	108.7890	6.335	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.8500	2.717	2	108.7890	6.335	3	108.7890	6.335	3	108.7890	6.335	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:3:1:	4:1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	111.7860	4.141	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:3:1:	4:1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH)	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	111.7860	4.141	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:3:4:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:4:1:	4:1:	C[5,6]-3:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH){1|O<1>,2|C<4>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	O(C[5]C[5,6]C[5]C)(H)	114.8120	0.000	1	114.8120	0.000	1	114.8120	0.000	1	114.9260	0.026	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:2:4:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H){4|C<3>}	O(C[5]C[6a]C[5]2)(H)	115.0400	0.000	1	115.0400	0.000	1	115.0400	0.000	1	114.9260	0.026	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.4048	2.914	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	108.2720	0.064	3	108.2720	0.004	3	108.3547	3.304	8	108.4048	2.914	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	109.4553	2.720	3	108.4044	5.773	5	108.3547	3.304	8	108.4048	2.914	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	106.8280	0.069	2	108.4044	5.773	5	108.3547	3.304	8	108.4048	2.914	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:1:1:	4:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{1|C<3>,1|O<2>}	O(C[5]C[5,6a]C[5]C)(CCHH)	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:2:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	O(C[5]C[5,6a]C[5]2)(H)	110.5555	0.013	2	110.5555	0.000	2	110.5555	0.000	2	110.5555	0.000	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:2:2:	4:1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:O-2:O-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	114.5005	0.821	2	114.5005	0.674	2	114.5005	0.674	2	114.5005	0.674	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	108.9280	2.651	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	O(C[5]C[5,6a]C[5]2)(H)	106.6380	0.000	1	108.7733	3.833	3	108.7733	3.833	3	108.9280	2.651	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	O(C[5]C[5,6a]C[5]2)(H)	110.4840	0.000	1	108.7733	3.833	3	108.7733	3.833	3	108.9280	2.651	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	O(C[5]C[5,6a]C[5]2)(H)	109.1980	0.000	1	108.7733	3.833	3	108.7733	3.833	3	108.9280	2.651	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:3:3:	4:1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:4:1:	4:1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	105.9170	0.000	1	105.9170	0.000	1	105.9170	0.000	1	109.9097	12.175	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	112.3740	0.000	1	112.3740	0.000	1	111.9060	0.438	2	109.9097	12.175	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.4380	0.000	1	111.4380	0.000	1	111.9060	0.438	2	109.9097	12.175	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:4:2:	4:1:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:4:4:	4:1:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH)	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5,6a]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	O(C[5]C[5,6a]C[5]N[5])(H)	109.3215	0.081	2	109.3215	0.007	2	109.3215	0.007	2	109.4173	0.031	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:3:4:4:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.4173	0.031	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	C[5]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH){1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	113.8010	0.000	1	113.8010	0.000	1	113.8010	0.000	1	110.3130	5.158	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2{1|S<4>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	110.3130	5.158	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|C<4>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	106.8990	0.000	1	106.8990	0.000	1	108.1777	2.401	3	110.3130	5.158	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.8170	1.533	2	108.8170	2.350	2	108.1777	2.401	3	110.3130	5.158	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	N[5]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{5|C<3>}	O(C[5]C[5]N[5]C)(H)	110.8305	0.402	2	111.1893	0.467	3	111.1893	0.467	3	110.3130	5.158	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	N[5]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{1|H<1>,4|C<3>}	O(C[5]C[5]N[5]C)(H)	111.9070	0.000	1	111.1893	0.467	3	111.1893	0.467	3	110.3130	5.158	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:1:	N[5]-3:C[5]-4:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	110.3130	5.158	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:4:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2	O(C[5]C[5,5]C[5]2)(CCHH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2{1|C<3>,3|N<3>}	O(C[5]C[5,5]C[5]2)(CCHH)	104.5310	0.000	1	104.5310	0.000	1	104.5310	0.000	1	108.8425	37.178	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:1:1:	4:4:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2	O(C[5]C[6a]C[5]N[5])(SiC[6a]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]N[5])(SiC[6a]2C)	113.1540	0.000	1	113.1540	0.000	1	113.1540	0.000	1	108.8425	37.178	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:2:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:2:4:	4:1:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-4:N[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH)	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3)	O(C[5]C[5,6a]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3){2|C<4>,3|C<3>}	O(C[5]C[5,6a]C[5]N[5])(H)	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:3:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	108.6265	3.445	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|O<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.3140	0.000	1	107.3140	0.000	1	107.3140	0.000	1	108.6265	3.445	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:3:1:	4:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	104.7230	0.000	1	104.7230	0.000	1	104.7230	0.000	1	104.7230	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:4:1:	4:1:	C[5,5a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	O(C[5]C[5,5a]C[5]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	O(C[5]C[5,5a]C[5]C)(H)	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	109.3443	4.707	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	109.3443	4.707	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH){1|C<2>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	109.3443	4.707	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:3:2:	4:4:4:3:	4:1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO)	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]2)(H)	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	109.7220	23.297	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:2:1:1:	4:1:	N[5]-3:C[5]-4:C-4:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH)	C[5](C[5]N[5]CO)(S[5]C[5])(H)2	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH){1|N<3>,2|C<3>}	C[5](C[5]N[5]CO)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	O(C[5]C[5]N[5]C)(H)	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	109.7220	23.297	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:2:4:4:	4:1:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH){1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]2C)(H)	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.9305	0.831	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	108.9305	0.831	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:4:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<3>}	O(C[5]C[5]2C)(CH3)	114.6890	0.000	1	114.6890	0.000	1	113.9300	1.152	2	113.9300	1.152	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:1:1:	4:4:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	O(C[5]C[5]2C)(CH3)	113.1710	0.000	1	113.1710	0.000	1	113.9300	1.152	2	113.9300	1.152	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:2:1:	4:4:	N[5,5]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC)	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H)	O(C[5]N[5,5]C[5]C)(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC){1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H){1|C<4>,1|N<3>}	O(C[5]N[5,5]C[5]C)(CH3)	109.2105	0.258	2	109.2105	0.067	2	109.2105	0.067	2	109.2105	0.067	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:3:1:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	114.9940	0.000	1	114.9940	0.000	1	114.9940	0.000	1	114.9940	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:3:3:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	107.1070	1.174	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[6a]C[5]2)(H)	106.3410	0.000	1	106.3410	0.000	1	106.3410	0.000	1	107.1070	1.174	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:3:4:1:	4:4:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H){1|Si<4>,1|C<4>}	O(C[5]C[5]2C)(CH3)	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	108.4890	0.619	2	108.4890	0.384	2	110.5224	3.944	5	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	112.6710	0.000	1	112.6710	0.000	1	110.5224	3.944	5	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	112.0590	0.000	1	112.0590	0.000	1	110.5224	3.944	5	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[5,6a]C[5]C)(H)	110.9040	0.000	1	110.9040	0.000	1	110.5224	3.944	5	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	112.9090	0.000	1	113.5590	0.540	3	113.5590	0.540	3	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[5]C[5,6a]C[5]C[6])(H)	113.8840	0.668	2	113.5590	0.540	3	113.5590	0.540	3	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.9943	1.950	12	109.9943	3.804	12	109.9943	3.804	12	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.2540	3.449	2	108.2540	11.897	2	106.9060	4.491	5	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	105.9920	0.082	2	105.9920	0.007	2	106.9060	4.491	5	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	106.0380	0.000	1	106.0380	0.000	1	106.9060	4.491	5	109.9100	6.820	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	O(C[5]C[6a]C[5]2)(SiC3)	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	103.9880	0.000	1	103.9880	0.000	1	107.9236	6.670	7	107.9370	5.719	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H){3|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.3040	0.000	1	109.3040	0.000	1	107.9236	6.670	7	107.9370	5.719	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.8405	0.491	2	110.8405	0.242	2	107.9236	6.670	7	107.9370	5.719	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]2)(H)	106.2740	0.000	1	106.2740	0.000	1	107.9236	6.670	7	107.9370	5.719	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	106.2970	0.000	1	106.2970	0.000	1	107.9236	6.670	7	107.9370	5.719	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	107.9210	0.000	1	107.9210	0.000	1	107.9236	6.670	7	107.9370	5.719	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H){2|H<1>,6|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	107.9370	5.719	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:3:3:	4:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2	O(C[5]C[6a]C[5]2)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2{3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(SiC3)	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,5a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	O(C[5]C[5,5a]C[5]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	O(C[5]C[5,5a]C[5]C)(H)	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	110.0790	0.832	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	110.0790	0.832	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	110.0790	0.832	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	3:4:4:2:	4:4:4:3:	4:1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO)	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO){2|C<3>}	O(C[5]C[5,6a]C[5]C)(H)	114.0090	0.000	1	114.0090	0.000	1	114.0090	0.000	1	114.0090	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	3:3:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H){2|H<1>,5|C<3>}	O(C[5]C[5]O[5]H)(CH3)	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	3:4:4:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	O(C[5]C[5]O[5]H)(H)	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	3:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:2:4:4:	4:4:	C[5]-4:N[5]-2:O-2:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H)	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H){1|N<2>}	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2{1|N<2>}	O(C[5]C[5]N[5]H)(CH3)	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	117.5340	14.583	2	117.5340	212.675	2	117.5340	212.675	2	114.0083	143.628	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	114.0083	143.628	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:3:3:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(NCC)(H){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	110.2625	1.471	2	110.2625	2.165	2	110.2625	2.165	2	110.2625	2.165	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:3:4:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	O(C[5]C[5]O[5]H)(H)	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:3:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	105.8080	0.938	2	105.8080	0.879	2	105.8080	0.879	2	105.8080	0.879	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[4,5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H){4|C<4>}	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H){2|H<1>,5|C<4>}	O(C[5]C[5]O[5]H)(H)	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,4x6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H)	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H){4|C<4>}	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2{1|H<1>,1|N<3>,6|C<4>}	O(C[5]C[5]O[5]H)(H)	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H){1|H<1>,1|P<4>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O(C[5]C[5]O[5]H)(H)	112.7380	0.000	1	112.7380	0.000	1	112.7380	0.000	1	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<4>,2|C<3>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(H)	113.0690	0.000	1	113.0690	0.000	1	111.1465	7.392	2	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	O(C[5]C[5]O[5]H)(H)	109.2240	0.000	1	109.2240	0.000	1	111.1465	7.392	2	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2{5|C<4>}	O(C[5]C[5]O[5]H)(H)	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2{1|C<4>,3|C<3>}	O(C[5]C[5]O[5]H)(H)	108.7590	0.000	1	108.7590	0.000	1	110.0983	2.426	4	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|H<1>}	O(C[5]C[5]O[5]H)(H)	108.8720	0.000	1	108.8720	0.000	1	110.0983	2.426	4	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	O(C[5]C[5]O[5]H)(H)	111.3810	0.830	2	111.3810	0.689	2	110.0983	2.426	4	110.5902	2.697	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N-3:	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H)	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(NCH)	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H){2|C<4>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2{2|C<4>}	O(C[5]C[5]O[5]H)(NCH)	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]O[5]H)2	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]O[5]H)(CH3)	111.0350	0.000	1	111.0350	0.000	1	111.0350	0.000	1	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	109.3480	0.000	1	109.3480	0.000	1	109.0198	0.303	4	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|Br<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2{5|C<4>}	O(C[5]C[5]O[5]H)(CH3)	109.5350	0.000	1	109.5350	0.000	1	109.0198	0.303	4	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.5980	0.426	2	108.5980	0.181	2	109.0198	0.303	4	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	107.0840	0.000	1	107.2615	0.063	2	107.2615	0.063	2	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	107.4390	0.000	1	107.2615	0.063	2	107.2615	0.063	2	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CC3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CC3)	107.8610	0.585	2	107.8610	0.343	2	108.7152	1.041	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	111.2980	0.000	1	111.2980	0.000	1	108.7152	1.041	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	108.1580	0.000	1	108.5670	0.335	2	108.7152	1.041	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	108.9760	0.000	1	108.5670	0.335	2	108.7152	1.041	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.6170	0.000	1	108.6170	0.000	1	108.7152	1.041	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.5952	0.387	4	108.5952	0.150	4	108.7152	1.041	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CC[5]HH)	108.5400	0.000	1	108.5400	0.000	1	108.4261	1.019	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|C<3>}	O(C[5]C[5]O[5]H)(CCHH)	108.0830	0.000	1	108.0830	0.000	1	108.4261	1.019	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]HH)	107.0000	0.000	1	107.0000	0.000	1	108.4261	1.019	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.6917	1.705	3	108.6917	2.908	3	108.4261	1.019	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	O(C[5]C[5]O[5]H)(CCHH)	108.2930	0.000	1	108.2930	0.000	1	108.4261	1.019	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<4>}	O(C[5]C[5]O[5]H)(CCHH)	108.5390	0.000	1	108.5390	0.000	1	108.4261	1.019	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2{1|C<3>}	O(C[5]C[5]O[5]H)(CCHH)	108.8655	0.752	2	108.8655	0.565	2	108.4261	1.019	10	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	108.8600	0.000	1	108.8600	0.000	1	109.7550	0.602	3	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|Se<2>,1|H<1>,1|O<1>}	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2{1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	110.2025	0.039	2	110.2025	0.002	2	109.7550	0.602	3	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	O(C[5]C[5]O[5]H)(CH3)	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	108.6476	1.312	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(H)	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	113.3715	70.437	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	O(C[5]C[5]O[5]H)(H)	119.3060	0.000	1	119.3060	0.000	1	119.3060	0.000	1	113.3715	70.437	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	O(C[5]C[5]O[5]H)(CC[6]HH)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	O(C[5]C[5]O[5]H)(CC[6]HH)	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]O[5]H)(CH3)	108.4150	0.000	1	108.4150	0.000	1	107.6862	0.950	11	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	106.3320	0.000	1	106.3320	0.000	1	107.6862	0.950	11	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]O[5]H)(CC[6a]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]HH)	105.6070	0.000	1	105.6070	0.000	1	107.6862	0.950	11	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.0242	0.520	8	108.0242	0.271	8	107.6862	0.950	11	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	111.4675	0.234	2	111.4675	0.055	2	111.4675	0.055	2	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H)	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HO)(O[5]B[5,6])(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	O(C[5]C[5]O[5]H)(CCHH)	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(SC[6a])(H){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	109.0013	6.418	17	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:2:4:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N[5]-2:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H)	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3)	O(C[5]C[5]S[5]H)(CCHH)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3){2|C<4>,3|C<3>}	O(C[5]C[5]S[5]H)(CCHH)	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H){3|H<1>}	O(C[5]C[5]O[5]H)(CH3)	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	107.5796	1.303	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(CC[6a]O)(H){2|C<4>}	O(C[5]C[5]O[5]H)(CH3)	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	107.5796	1.303	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(NC[5a]H)(H){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	107.5796	1.303	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H)	O(C[5]C[5]O[5]H)(SiC3)	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]HO)(NCH)(H){2|C<4>}	O(C[5]C[5]O[5]H)(SiC3)	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	107.5796	1.303	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OCoC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CH3)	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	107.5796	1.303	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	O(C[5]C[5]S[5]H)(CC3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]S[5]H)(CC3)	107.9940	0.000	1	107.9940	0.000	1	107.3407	0.738	4	107.5796	1.303	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	O(C[5]C[5]S[5]H)(CH3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]S[5]H)(CH3)	107.1230	0.907	3	107.1230	0.823	3	107.3407	0.738	4	107.5796	1.303	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(C[5]O[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(C[5]C[5]O[5]H)(H)	107.7285	0.323	2	107.7285	0.104	2	107.7285	0.104	2	109.6028	2.223	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]O[5]H)(H)	112.0250	0.000	1	112.0250	0.000	1	110.2275	1.218	6	109.6028	2.223	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H){1|O<1>}	O(C[5]C[5]O[5]H)(H)	110.3007	0.538	3	110.3007	0.289	3	110.2275	1.218	6	109.6028	2.223	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(H)	109.2190	0.479	2	109.2190	0.230	2	110.2275	1.218	6	109.6028	2.223	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N-3:	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H)	O(C[5]C[5]O[5]H)(NC[6a]C)	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H){2|H<1>}	O(C[5]C[5]O[5]H)(NC[6a]C)	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H){3|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.3840	0.000	1	108.3840	0.000	1	108.8550	0.444	2	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H){3|H<1>}	O(C[5]C[5]O[5]H)(CH3)	109.3260	0.000	1	109.3260	0.000	1	108.8550	0.444	2	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	O(C[5]C[5]O[5]H)(CCHH)	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H){1|C<3>,1|H<1>}	O(C[5]C[5]O[5]H)(CH3)	109.2757	0.679	3	109.2757	0.461	3	108.8358	1.082	4	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H)	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]O[5]H)(CCHH)	107.5160	0.000	1	107.5160	0.000	1	108.8358	1.082	4	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CCSS)(H){1|O<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	105.4305	0.404	2	105.4305	0.163	2	105.4305	0.163	2	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(CH3)	103.2680	0.000	1	103.2680	0.000	1	103.2680	0.000	1	108.0436	5.104	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5]O[5]H)(CH3)	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:4:	4:1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3)	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]H)(H)	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:1:	4:4:4:4:	4:4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2	O(C[5]C[5]O[5]H)2	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2{2|C<3>}	O(C[5]C[5]O[5]H)2	108.6995	0.944	2	108.6995	0.891	2	108.6995	0.891	2	108.6995	0.891	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:2:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:O-2:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H)	O(C[5]C[5]O[5]O)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]OO)(COO)(H){2|C<3>}	O(C[5]C[5]O[5]O)(CH3)	112.2705	7.680	2	112.2705	58.981	2	112.2705	58.981	2	112.2705	58.981	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:4:	4:2:4:4:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3)	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3){1|O<1>}	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2{1|O<1>}	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:4:	4:4:1:1:	4:4:	C[5]-4:O-2:O[5]-2:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{2|C<4>}	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	112.7415	0.246	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	112.7415	0.246	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	106.0110	0.000	1	106.0110	0.000	1	107.2811	2.445	12	107.2811	2.445	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	108.1330	0.000	1	108.1330	0.000	1	107.2811	2.445	12	107.2811	2.445	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	106.9720	0.415	3	106.9720	0.172	3	107.2811	2.445	12	107.2811	2.445	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:2:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	107.4733	1.986	7	107.4733	3.944	7	107.2811	2.445	12	107.2811	2.445	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:3:2:	3:4:4:1:	4:1:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH)	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H){2|C<3>}	O(C[5]C[5]O[5]C)(H)	109.7745	0.607	2	109.7745	0.369	2	109.7745	0.369	2	109.7745	0.369	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:3:2:	3:4:4:4:	4:1:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH)	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2{2|C<3>}	O(C[5]C[5]O[5]C)(H)	114.8650	0.000	1	114.8650	0.000	1	114.8650	0.000	1	114.8650	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:3:2:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH)	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5]O[5]C)(H)	110.2610	0.000	1	110.2610	0.000	1	109.5575	0.990	2	109.5575	0.990	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:3:2:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]O[5]C)(H)	108.8540	0.000	1	108.8540	0.000	1	109.5575	0.990	2	109.5575	0.990	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	3:4:1:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]O[5]C)(H)	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:2:3:1:	4:1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH)	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H){1|C<3>}	O(C[5]C[5]N[5]C)(H)	111.1540	0.127	2	111.1540	0.016	2	111.1540	0.016	2	111.8737	1.562	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:2:3:1:	4:1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH)	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H){1|C<3>}	O(C[5]C[5]N[5]C)(H)	113.3130	0.000	1	113.3130	0.000	1	113.3130	0.000	1	111.8737	1.562	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:2:4:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H){2|C<4>}	O(C[5]C[5]O[5]C)(H)	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:2:4:4:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC)	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2	O(C[5]C[5]O[5]C)(CC[5]2H)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC){1|O<1>}	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2{1|O<1>}	O(C[5]C[5]O[5]C)(CC[5]2H)	106.6470	0.000	1	106.6470	0.000	1	106.6470	0.000	1	106.6470	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:1:1:	4:1:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH)	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH){1|C<3>,1|S<4>}	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2{1|C<3>}	O(C[5]C[5]N[5]C)(H)	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	108.9085	1.784	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:1:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH){1|C<2>,1|C<3>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2{1|C<3>}	O(C[5]C[5]O[5]C)(H)	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	108.9085	1.784	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:3:2:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH){1|C<4>}	O(C[5]C[5]O[5]C)(H)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:3:3:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:N-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO){1|C<4>}	O(C[5]C[5]O[5]C)(H)	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:4:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH){1|O<1>,2|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H){2|C<4>}	O(C[5]C[5]O[5]C)(H)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:4:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO)	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO){1|O<1>}	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	O(C[5]C[5]O[5]C)(OH)	114.1185	0.459	2	114.1185	0.211	2	114.1185	0.211	2	114.1185	0.211	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:4:2:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:C-4:	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<3>,1|O<1>}	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	O(C[5]C[5]O[5]C)(CH3)	107.3430	1.108	4	106.9469	0.676	9	106.9469	0.676	9	106.9469	0.676	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:4:2:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:C-4:	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>}	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	O(C[5]C[5]O[5]C)(CH3)	106.6300	0.384	5	106.9469	0.676	9	106.9469	0.676	9	106.9469	0.676	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:3:4:4:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(H)	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5]-4:N[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH)	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH){1|C<3>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]N[5]C)(H)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	109.2336	2.901	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5]-4:N[5]-2:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]N[5]C)(H)	108.6825	0.805	2	108.6825	0.649	2	108.6825	0.649	2	109.2336	2.901	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2{1|N<3>,3|C<3>}	O(C[5]C[5]O[5]C)(H)	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	109.2336	2.901	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(H)	109.8335	2.156	2	109.8335	4.648	2	109.8335	4.648	2	109.2336	2.901	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|C<4>}	O(C[5]C[5]O[5]C)(H)	108.6553	2.817	3	108.6553	7.936	3	109.5540	4.332	6	109.2336	2.901	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]O[5]C)(H)	111.2360	0.000	1	111.2360	0.000	1	109.5540	4.332	6	109.2336	2.901	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH)	C[5](C[5]O[5]CO)2(H)2	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)2(H)2	O(C[5]C[5]O[5]C)(H)	110.0610	0.137	2	110.0610	0.019	2	109.5540	4.332	6	109.2336	2.901	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO)	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2{2|C<4>}	O(C[5]C[5]O[5]C)(OH)	104.0740	0.000	1	104.0740	0.000	1	102.7970	1.291	7	102.7970	1.291	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO)	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2{2|H<1>}	O(C[5]C[5]O[5]C)(OH)	101.6493	0.498	3	101.6493	0.248	3	102.7970	1.291	7	102.7970	1.291	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO){2|C<4>}	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(OH)	103.5770	0.000	1	103.5770	0.000	1	102.7970	1.291	7	102.7970	1.291	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO)	C[5](C[5]O[5]CO)2(H)2	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)2(H)2	O(C[5]C[5]O[5]C)(OH)	103.4900	0.310	2	103.4900	0.096	2	102.7970	1.291	7	102.7970	1.291	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(Br)(H){1|C<3>,1|C<4>,1|O<2>}	O(C[5]C[5]O[5]C)(CH3)	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	107.5740	1.905	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|H<1>}	O(C[5]C[5]O[5]C)(CC[6a]CH)	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	107.5740	1.905	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H){1|O<2>,2|C<4>}	O(C[5]C[5]O[5]C)(H)	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	110.2727	8.282	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(H)	107.2840	0.000	1	107.2840	0.000	1	110.1545	16.480	2	110.2727	8.282	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(H)	113.0250	0.000	1	113.0250	0.000	1	110.1545	16.480	2	110.2727	8.282	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]O[5]C)(CH3)	105.9080	0.082	2	105.9080	0.007	2	108.4223	18.969	3	107.6847	7.414	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]O[5]C)(CH3)	113.4510	0.000	1	113.4510	0.000	1	108.4223	18.969	3	107.6847	7.414	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	105.8560	0.000	1	105.8560	0.000	1	107.2422	2.836	5	107.6847	7.414	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	108.1180	2.325	2	108.1180	5.405	2	107.2422	2.836	5	107.6847	7.414	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	107.0595	1.555	2	107.0595	2.418	2	107.2422	2.836	5	107.6847	7.414	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:3:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(COO)(H){2|C<3>}	O(C[5]C[5]O[5]C)(H)	110.3500	0.000	1	110.3500	0.000	1	108.0393	4.094	3	108.0393	4.094	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:3:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H){4|C<3>}	O(C[5]C[5]O[5]C)(H)	106.5850	0.000	1	106.5850	0.000	1	108.0393	4.094	3	108.0393	4.094	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:3:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]CO)(CCH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(H)	107.1830	0.000	1	107.1830	0.000	1	108.0393	4.094	3	108.0393	4.094	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	O(C[5]C[5]O[5]C)(H)	108.2370	0.000	1	108.2370	0.000	1	112.7419	8.149	9	112.7419	8.149	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(H)	114.7610	0.492	3	114.7610	0.242	3	112.7419	8.149	9	112.7419	8.149	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:4:1:	4:1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(H)	112.4314	2.815	5	112.4314	7.925	5	112.7419	8.149	9	112.7419	8.149	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:2:4:2:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC)	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	O(C[5]C[5]O[5]C)(CH3)	109.7603	5.035	3	109.7603	25.352	3	109.7603	25.352	3	109.7603	25.352	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:3:4:2:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC){3|H<1>,5|C<3>}	O(C[5]C[5]N[5]H)(CH3)	112.5450	0.000	1	112.5450	0.000	1	112.5450	0.000	1	112.5450	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:3:4:4:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO){5|C<3>,5|H<1>}	O(C[5]C[5]2H)(CH3)	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:2:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	N[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H){1|C<3>,1|N<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	O(C[5]C[5]N[5]H)(H)	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:2:1:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	O(C[5]C[5]N[5]H)(CCCH)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	112.7900	0.171	2	112.7900	0.029	2	112.1474	5.011	9	111.4967	6.409	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.9639	2.550	7	111.9639	6.500	7	112.1474	5.011	9	111.4967	6.409	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H){1|H<1>,1|S<4>,2|C<3>}	O(C[5]C[5]N[5]H)(H)	108.5685	1.744	2	108.5685	3.043	2	108.5685	3.043	2	111.4967	6.409	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	O(C[5]C[5]2H)(CH3)	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:2:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:O-2:	C[5]-4:C-4:	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H){1|C<4>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC){1|C<4>,2|H<1>,2|N<3>}	O(C[5]C[5]2H)(CH3)	114.2855	0.111	2	114.2855	0.012	2	114.2855	0.012	2	114.2855	0.012	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2H)(H)	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	114.1230	0.455	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	3:4:4:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	113.7405	0.180	2	113.7405	0.033	2	113.7405	0.033	2	114.1230	0.455	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	O(C[5]C[5]2H)(H)	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	O(C[5]C[5]2H)(H)	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	114.4330	0.000	1	114.4330	0.000	1	114.0165	0.347	2	111.7510	8.126	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	113.6000	0.000	1	113.6000	0.000	1	114.0165	0.347	2	111.7510	8.126	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]N[5]H)(H)	111.2062	2.713	4	110.9958	8.569	6	110.9958	8.569	6	111.7510	8.126	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|H<1>,1|S<1>}	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|H<1>,1|S<1>}	O(C[5]C[5]N[5]H)(H)	110.5750	4.499	2	110.9958	8.569	6	110.9958	8.569	6	111.7510	8.126	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H){1|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H){1|C<3>}	O(C[5]C[5]2H)(CH3)	113.3180	0.653	4	113.3180	0.426	4	113.3180	0.426	4	112.2808	4.025	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:2:1:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-3:S-2:H-1:	C[5]-4:C-4:	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H)	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]HO)(N[5]C[5]H)(SC[6a])(H){1|C<3>,1|O<1>}	O(C[5]C[5]N[5]H)(CH3)	110.2065	2.437	2	110.2065	5.941	2	110.2065	5.941	2	112.2808	4.025	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:3:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	115.2440	2.058	2	115.2440	4.234	2	115.2440	4.234	2	115.2440	4.234	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	117.4650	0.000	1	117.4650	0.000	1	117.4650	0.000	1	113.9997	12.545	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	113.9997	12.545	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[5]C[5]N[5]H)(H)	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	113.9997	12.545	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:2:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	O(C[5]C[5]2H)(H)	113.9800	0.253	2	113.9800	0.064	2	113.9800	0.064	2	113.9800	0.064	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:4:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H){1|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2{1|C<3>}	O(C[5]C[5]2H)(CH3)	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	116.6485	12.847	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:3:4:4:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2{2|C<3>}	O(C[5]C[5]2H)(CCHH)	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	116.6485	12.847	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5]2H)(H)	107.4915	0.084	2	107.4915	0.007	2	112.2851	7.101	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[5]C[5]2H)(H)	112.2410	0.000	1	113.8600	5.242	2	112.2851	7.101	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,3|C<3>}	O(C[5]C[5]2H)(H)	115.4790	0.000	1	113.8600	5.242	2	112.2851	7.101	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	113.3580	0.409	6	113.3580	0.167	6	112.2851	7.101	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<4>}	O(C[5]C[5]2H)(H)	109.0650	0.000	1	109.0650	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	116.0465	2.252	2	116.0465	5.072	2	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,3|C<3>}	O(C[5]C[5]2H)(H)	113.8850	0.000	1	113.8850	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	108.5800	0.000	1	108.5800	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|N<3>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	114.4860	0.000	1	114.4860	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	O(C[5]C[5]2H)(H)	113.1080	0.000	1	113.1080	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	O(C[5]C[5]2H)(H)	109.9710	0.000	1	109.9710	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	116.5750	0.000	1	116.5750	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	O(C[5]C[5]2H)(H)	111.8600	0.000	1	111.8600	0.000	1	112.9623	9.433	10	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H)	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H){2|C<4>}	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H){1|C<4>,2|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2{2|H<1>,5|C<3>}	O(C[5]C[5]N[5]H)(H)	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:H-1:	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(Br)2{1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(H)	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O(C[5]C[5]N[5]H)(H)	110.6280	0.000	1	110.6280	0.000	1	109.9605	0.891	2	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	O(C[5]C[5]N[5]H)(H)	109.2930	0.000	1	109.2930	0.000	1	109.9605	0.891	2	112.2936	7.732	25	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(N[6]C[6]2)	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]2H)(N[6]C[6]2)	115.0870	0.557	3	115.0870	0.310	3	115.0870	0.310	3	115.0870	0.310	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){1|C<2>,1|C<3>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<2>,1|C<4>}	O(C[5]C[5]2H)(CCCH)	112.1180	0.000	1	112.1180	0.000	1	110.0823	3.121	3	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	O(C[5]C[5]2H)(CCCH)	109.0645	0.161	2	109.0645	0.026	2	110.0823	3.121	3	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(C[6]C[6]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>}	O(C[5]C[5]2H)(C[6]C[6]2H)	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]2H)(SCOO)	111.4355	1.506	4	111.4355	2.269	4	111.4355	2.269	4	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(CC[6a]2H)	108.4920	0.146	2	108.4920	0.021	2	107.7638	3.045	8	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(CC[6a]CH)	109.5385	0.213	2	109.5385	0.045	2	107.7638	3.045	8	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(CH3)	107.0500	0.000	1	107.0500	0.000	1	107.7638	3.045	8	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,1|H<1>,1|S<4>}	O(C[5]C[5]N[5]H)(CCCH)	108.4970	0.000	1	106.3330	3.619	3	107.7638	3.045	8	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:1:1:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|S<4>,2|H<1>}	O(C[5]C[5]N[5]H)(CCCH)	105.2510	0.462	2	106.3330	3.619	3	107.7638	3.045	8	109.4573	5.885	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	114.2091	3.835	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HO)2(OSi)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	114.5070	0.000	1	114.5070	0.000	1	115.1878	1.218	5	114.2091	3.835	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	O(C[5]C[5]2H)(H)	115.3580	1.196	4	115.3580	1.431	4	115.1878	1.218	5	114.2091	3.835	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]H)(H)	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	114.2091	3.835	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|N<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]2H)(CH3)	112.2695	3.389	2	112.2695	11.486	2	113.3210	5.346	4	112.3786	4.713	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]2H)(CC[6a]HH)	114.6270	0.000	1	114.6270	0.000	1	113.3210	5.346	4	112.3786	4.713	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	O(C[5]C[5]2H)(CC[6a]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	O(C[5]C[5]2H)(CC[6a]2H)	114.1180	0.000	1	114.1180	0.000	1	113.3210	5.346	4	112.3786	4.713	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	O(C[5]C[5]2H)(SCOO)	111.9195	0.364	2	111.9195	0.133	2	111.9195	0.133	2	112.3786	4.713	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	O(C[5]C[5]2H)(SiC[6a]2C)	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	112.3786	4.713	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:2:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5]2H)(H)	114.2700	0.925	4	114.2700	0.855	4	114.2700	0.855	4	114.2700	0.855	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	113.4460	0.000	1	113.4460	0.000	1	112.4117	1.836	3	112.0130	1.860	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	O(C[5]C[5]2H)(H)	110.8780	0.000	1	110.8780	0.000	1	112.4117	1.836	3	112.0130	1.860	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2H)(H)	112.9110	0.000	1	112.9110	0.000	1	112.4117	1.836	3	112.0130	1.860	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	O(C[5]C[5]N[5]H)(H)	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	112.0130	1.860	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	107.7275	0.349	2	107.7275	0.122	2	110.8476	4.848	8	110.8476	4.848	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.4800	1.024	2	112.4800	1.048	2	110.8476	4.848	8	110.8476	4.848	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	113.3550	0.000	1	111.5915	1.917	4	110.8476	4.848	8	110.8476	4.848	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	111.0037	0.895	3	111.5915	1.917	4	110.8476	4.848	8	110.8476	4.848	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:2:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:S-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	O(C[5]C[5]2H)(SC[6a]OO)	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	113.9030	0.000	1	113.9030	0.000	1	116.6115	14.672	2	116.6115	14.672	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	O(C[5]C[5]2H)(H)	119.3200	0.000	1	119.3200	0.000	1	116.6115	14.672	2	116.6115	14.672	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[6]-4:C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	113.1130	1.075	2	113.1130	1.155	2	113.1130	1.155	2	112.0050	4.261	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:1:	4:4:4:4:	4:4:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:Si-4:	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3)	O(C[5]C[5]N[5]H)(SiC3)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3){1|H<1>,1|O<1>}	O(C[5]C[5]N[5]H)(SiC3)	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	112.0050	4.261	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:2:	3:4:3:1:	4:4:	C[5]-4:C[5]-3:O-2:O-2:	C[5,6a]-3:C[5]-4:C-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O)	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O){1|O<1>,3|C<3>}	O(C[5]C[5]2O)(CH3)	110.8265	7.126	2	110.8265	50.773	2	110.8265	50.773	2	110.8265	50.773	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:2:	3:4:3:2:	4:4:	C[5]-4:C[5]-3:O-2:O-2:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH)	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2O)(CH3)	110.7045	7.039	4	110.7045	49.549	4	110.7045	49.549	4	110.7045	49.549	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:1:1:	4:1:	C[5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:H-1:	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2{2|C<3>,2|H<1>}	O(C[5]C[6a]C[5]O[5])(H)	104.9395	0.359	2	104.9395	0.129	2	104.9395	0.129	2	104.9395	0.129	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H)	O(C[5]C[5]2O[5])(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5]2O[5])(CH3)	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:4:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6])	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H)	O(C[5]C[5]2O[5])(C[6]C[6]2H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(C[5]O[5]HO)(H){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2O[5])(C[6]C[6]2H)	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH){2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3){1|O<1>}	O(C[5]C[5]2C)(H)	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:2:3:	3:4:1:1:	4:3:	C[5]-4:C[5]-3:O-2:C-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[6]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(N[6]C[6]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(N[6]C[6]2)	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:3:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH){1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5]2C)(H)	114.7830	0.000	1	114.7830	0.000	1	114.9290	0.043	2	113.2142	5.466	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	115.0750	0.000	1	115.0750	0.000	1	114.9290	0.043	2	113.2142	5.466	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.9840	0.000	1	109.9840	0.000	1	109.9840	0.000	1	113.2142	5.466	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:1:	4:1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.2142	5.466	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:1:1:	4:4:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC){1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2{1|O<1>,2|C<4>}	O(C[5]C[5]2C)(CH3)	116.7028	0.811	4	116.7028	0.657	4	116.7028	0.657	4	116.7028	0.657	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:2:2:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:O-2:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2{1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:3:4:	4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	O(C[5]C[5]3)(H)	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	3:4:4:1:	4:4:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[5]C[5]2C)(CH3)	96.8297	0.000	1	96.8297	0.000	1	96.8297	0.000	1	96.8297	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:1:1:	4:4:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC)	C[5](C[5]N[5]CO)(O[5]C[5])(H)2	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC){1|O<1>}	C[5](C[5]N[5]CO)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	O(C[5]C[5]N[5]C)(CCHH)	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:2:4:2:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH){1|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	O(C[5]C[5]2C)(H)	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]2C)(H)	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH)	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH){1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5]2O)(C[5]N[5]O)(S[5]C[5])(H){1|N<3>,2|C<3>,2|O<1>}	O(C[5]C[5]3)(H)	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:2:4:	4:1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH){1|O<1>,2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:3:1:	4:4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H)	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(CH3)	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:3:2:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	109.1815	15.764	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:3:2:	4:1:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	O(C[5]C[6a]C[5]2)(H)	106.3740	0.000	1	106.3740	0.000	1	106.3740	0.000	1	109.1815	15.764	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	112.0370	3.318	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	112.0370	3.318	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:4:1:	4:4:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H)	O(C[5]C[5]2C)(CCCH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC){1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H){2|O<2>}	O(C[5]C[5]2C)(CCCH)	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:3:4:4:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH){1|C<3>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	O(C[5]C[5]2C)(H)	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,4|C<4>}	O(C[5]C[5]2C)(H)	110.1005	0.363	2	110.1005	0.132	2	110.1005	0.132	2	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<2>,1|C<4>}	O(C[5]C[5]2C)(H)	112.5670	0.000	1	112.5670	0.000	1	111.6580	1.653	2	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	110.7490	0.000	1	110.7490	0.000	1	111.6580	1.653	2	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[6a]C[5]2)(H)	105.3850	0.079	2	105.3850	0.006	2	105.3850	0.006	2	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:C[6a]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	O(C[5]C[6a]C[5]N[5])(H)	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:N[5]-3:C-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2{1|N<3>,1|O<1>,5|C<3>}	O(C[5]C[5]N[5]C)(H)	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	113.0320	3.984	2	113.0320	15.871	2	112.2373	9.830	3	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:1:1:	4:1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]O)(OH)	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]O)(OH){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2{1|C<3>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	110.6480	0.000	1	110.6480	0.000	1	112.2373	9.830	3	110.7342	10.866	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH){1|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	107.9185	3.239	2	107.9185	10.493	2	107.9185	10.493	2	107.9185	10.493	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H)	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H){1|H<1>,1|O<1>}	O(C[5]C[5]N[5]C)(CH3)	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	110.4900	0.000	1	110.4900	0.000	1	108.1280	11.158	2	109.0757	8.273	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	105.7660	0.000	1	105.7660	0.000	1	108.1280	11.158	2	109.0757	8.273	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2C)(H)	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	109.0757	8.273	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:3:2:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH){2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH){1|O<1>}	O(C[5]C[5]2C)(H)	114.2743	1.064	3	114.2743	1.132	3	114.2743	1.132	3	114.2743	1.132	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H){1|O<1>}	O(C[5]C[5]2C)(H)	110.1070	0.000	1	110.1070	0.000	1	112.2270	8.989	2	112.2270	8.989	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H){1|O<1>}	O(C[5]C[5]2C)(H)	114.3470	0.000	1	114.3470	0.000	1	112.2270	8.989	2	112.2270	8.989	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:3:2:	4:4:4:3:	4:1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]2O)(COO){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	O(C[5]C[5]3)(H)	113.6650	0.195	2	113.6650	0.038	2	113.6650	0.038	2	113.6650	0.038	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	108.4930	0.106	2	108.4930	0.011	2	108.4930	0.011	2	110.0480	7.260	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:1:1:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH)	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]N[5]C)(H)	113.1580	0.000	1	113.1580	0.000	1	113.1580	0.000	1	110.0480	7.260	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5]2C)(H)	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	111.8445	0.253	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:3:1:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]N[5]C)(H)	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	111.8445	0.253	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:3:2:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	3:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:S-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H){1|C<4>,3|C<3>}	O(C[5]C[5]2C)(H)	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:1:	4:1:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[3,5]C[6a]C[5])(H)	106.4540	0.000	1	106.4540	0.000	1	106.4540	0.000	1	107.9560	2.734	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH){2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	105.7840	0.000	1	105.7840	0.000	1	107.2467	1.606	3	107.9560	2.734	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(O[5]N[5])(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH){1|H<1>}	C[5](C[5]C[5]CO)(O[5]N[5])(H)2{1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	107.9780	0.047	2	107.9780	0.002	2	107.2467	1.606	3	107.9560	2.734	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:1:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2{3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	109.7710	0.321	2	109.7710	0.103	2	109.7710	0.103	2	107.9560	2.734	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:4:2:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<3>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	109.2190	2.101	4	109.4098	2.902	9	109.4098	2.902	9	109.4098	2.902	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:2:4:2:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	109.5624	1.558	5	109.4098	2.902	9	109.4098	2.902	9	109.4098	2.902	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<4>}	O(C[5]C[5]2C)(H)	107.8070	0.000	1	107.8070	0.000	1	110.7432	3.838	5	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	112.5370	0.000	2	112.5370	0.000	2	110.7432	3.838	5	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]2C)(H)	110.4175	0.291	2	110.4175	0.084	2	110.7432	3.838	5	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.9120	0.000	1	109.5105	0.322	2	109.5105	0.322	2	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.1090	0.000	1	109.5105	0.322	2	109.5105	0.322	2	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.4630	0.815	2	110.4630	0.664	2	110.4630	0.664	2	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH)	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH){1|C<4>}	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2{1|C<3>}	O(C[5]C[5]N[5]C)(H)	110.8495	1.696	2	110.8495	2.878	2	109.0940	5.121	4	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:1:1:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH)	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH){1|C<4>}	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2{1|C<3>}	O(C[5]C[5]N[5]C)(H)	107.3385	0.400	2	107.3385	0.160	2	109.0940	5.121	4	110.0030	3.221	13	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	113.0595	1.169	2	113.0595	1.366	2	113.0595	1.366	2	111.8750	2.540	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:2:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	110.1240	0.000	1	110.6905	0.642	2	110.6905	0.642	2	111.8750	2.540	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:2:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	111.2570	0.000	1	110.6905	0.642	2	110.6905	0.642	2	111.8750	2.540	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H){1|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	109.0437	11.062	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	111.4530	0.000	1	111.4530	0.000	1	108.3510	19.245	2	109.0437	11.062	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	105.2490	0.000	1	105.2490	0.000	1	108.3510	19.245	2	109.0437	11.062	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:3:4:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	112.8847	0.155	3	112.8847	0.024	3	112.8847	0.024	3	112.8847	0.024	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	109.4755	0.576	2	109.4755	0.332	2	109.4755	0.332	2	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H){1|C<4>,1|O<1>}	O(C[5]C[5]2C)(H)	114.8030	0.000	1	114.8030	0.000	1	112.7145	8.724	2	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H){1|C<4>,1|O<1>}	O(C[5]C[5]2C)(H)	110.6260	0.000	1	110.6260	0.000	1	112.7145	8.724	2	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[5]C[5]2C)(H)	107.3460	0.000	1	107.6935	0.242	2	107.6935	0.242	2	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5]2C)(H)	108.0410	0.000	1	107.6935	0.242	2	107.6935	0.242	2	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-3:Si-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	O(C[5]C[5]2Si)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	O(C[5]C[5]2Si)(H)	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H){1|H<1>,3|C<3>}	O(C[5]C[6a]C[5]2)(H)	105.3930	0.000	1	105.3930	0.000	1	105.3930	0.000	1	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	106.7275	1.244	2	106.7275	1.547	2	106.7275	1.547	2	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.8010	2.150	2	108.8010	4.621	2	108.8010	4.621	2	108.9611	6.881	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:2:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,5]C[6a]C[5])(H)	103.1880	0.000	1	103.1880	0.000	1	103.1880	0.000	1	106.6726	13.954	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:2:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	106.6726	13.954	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:2:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	106.1264	2.656	8	106.1264	7.052	8	106.1264	7.052	8	106.6726	13.954	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:3:4:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|O<1>}	O(C[5]C[5]2C)(H)	104.1690	0.000	1	104.1690	0.000	1	104.1690	0.000	1	104.1690	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH){2|C<4>}	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[5]C[5]2C)(H)	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH){3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2C)(H)	112.3010	0.000	1	112.3010	0.000	1	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH){1|C<2>,1|C<3>,1|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,1|C<4>}	O(C[5]C[5]2C)(H)	106.9370	0.000	1	106.9370	0.000	1	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)2(H)2{2|C<4>}	O(C[5]C[5]2C)(H)	110.2795	1.821	4	110.2795	3.314	4	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	111.2595	1.358	6	111.2595	1.843	6	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	112.0440	0.000	1	112.0440	0.000	1	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|O<1>,3|C<3>}	O(C[5]C[5]2C)(H)	112.3170	0.000	1	112.3170	0.000	1	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]2C)(H)	109.4870	0.031	2	109.4870	0.001	2	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	108.3425	1.071	2	108.3425	1.148	2	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	107.8988	2.136	8	107.8988	4.562	8	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|O<1>}	O(C[5]C[5]2C)(H)	114.9460	0.000	1	114.9460	0.000	1	109.8544	5.828	27	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.5821	2.343	8	109.5821	5.491	8	109.5821	5.491	8	109.8284	5.534	37	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(CH3)	113.1640	0.000	1	113.1640	0.000	1	113.1603	0.009	3	113.6805	1.089	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|H<1>}	O(C[5]C[5]2C)(CCHH)	113.1585	0.136	2	113.1585	0.019	2	113.1603	0.009	3	113.6805	1.089	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:1:1:	4:4:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	O(C[5]C[5]N[5]C)(CCHH)	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	113.6805	1.089	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	114.8090	0.737	2	114.8090	0.543	2	114.8090	0.543	2	112.6414	11.971	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	O(C[5]C[5]2C)(H)	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	112.6414	11.971	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	O(C[5]C[5]2C)(H)	111.6387	4.042	3	111.6387	16.335	3	111.6387	16.335	3	112.6414	11.971	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	O(C[5]C[5]N[5]C)(H)	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	112.6414	11.971	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]C)(H)	116.9270	0.000	1	116.9270	0.000	1	116.9270	0.000	1	112.6414	11.971	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H)	O(C[5]C[5]2C)(CHHS)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H){1|H<1>,1|O<1>}	O(C[5]C[5]2C)(CHHS)	114.7440	0.000	1	114.7440	0.000	1	114.7440	0.000	1	114.7440	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	109.8944	2.427	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H){1|H<1>,1|O<1>,4|C<4>}	O(C[5]C[5]2C)(H)	110.2205	0.856	2	110.2205	0.733	2	110.2205	0.733	2	109.8944	2.427	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	109.9240	0.815	2	109.9240	0.664	2	108.9353	3.264	3	109.8944	2.427	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	106.9580	0.000	1	106.9580	0.000	1	108.9353	3.264	3	109.8944	2.427	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[5]C[5]2C)(H)	111.9700	0.000	1	111.9700	0.000	1	111.9700	0.000	1	109.8944	2.427	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:3:4:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH){2|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	110.7845	3.461	2	110.7845	11.981	2	111.0611	5.541	12	111.0611	5.541	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H){1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	109.7250	0.000	1	109.7250	0.000	1	111.0611	5.541	12	111.0611	5.541	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2C)(H)	109.6760	3.443	3	109.6760	11.852	3	111.0611	5.541	12	111.0611	5.541	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){2|C<4>}	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	O(C[5]C[5]2C)(H)	111.6680	0.000	1	111.6680	0.000	1	111.0611	5.541	12	111.0611	5.541	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH){2|C<4>}	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	O(C[5]C[5]2C)(H)	111.5865	0.462	2	111.5865	0.213	2	111.0611	5.541	12	111.0611	5.541	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	113.7585	0.931	2	113.7585	0.867	2	111.0611	5.541	12	111.0611	5.541	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	110.0530	0.000	1	110.0530	0.000	1	111.0611	5.541	12	111.0611	5.541	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:1:	4:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi){2|C<4>}	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	O(C[5]C[5]2C)(SiC3)	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	O(C[5]C[5]2C)(H)	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(COO){1|C<3>,1|H<1>}	O(C[5]C[5]2C)(H)	107.7910	0.000	1	107.7910	0.000	1	109.5015	5.852	2	109.5015	5.852	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:3:4:2:	4:4:4:3:	4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(CCO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(CCO){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	111.2120	0.000	1	111.2120	0.000	1	109.5015	5.852	2	109.5015	5.852	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	2:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CH3)	109.6427	2.403	12	109.6427	5.772	12	109.6427	5.772	12	109.6427	5.772	12	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)2(OH)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	O(C[5]C[5]2H)(H)	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:Si-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	O(C[5]C[5]2H)(SiC3)	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:3:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	O(C[5]C[5]2H)(H)	108.6720	2.278	2	108.6720	5.191	2	108.6720	5.191	2	108.6720	5.191	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H)	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O){4|C<3>,6|H<1>}	O(C[5]C[5]2H)(H)	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2{2|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,5|C<4>}	O(C[5]C[5]2H)(H)	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|C<5>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.0640	0.000	1	111.0640	0.000	1	111.1741	4.688	14	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.2283	4.302	3	110.9831	5.750	11	111.1741	4.688	14	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.5161	1.418	8	110.9831	5.750	11	111.1741	4.688	14	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.2800	0.768	2	112.2800	0.590	2	111.1741	4.688	14	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)(H)	110.8437	3.527	3	110.8319	6.734	8	111.0376	5.452	10	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.4170	4.286	2	110.8319	6.734	8	111.0376	5.452	10	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.5830	0.000	1	110.8319	6.734	8	111.0376	5.452	10	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	112.5640	0.000	1	110.8319	6.734	8	111.0376	5.452	10	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.1430	0.000	1	110.8319	6.734	8	111.0376	5.452	10	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.8605	0.489	2	111.8605	0.239	2	111.0376	5.452	10	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2{1|H<1>,1|N<2>,3|C<3>}	O(C[5]C[5]2H)(H)	112.0300	0.000	1	112.0300	0.000	1	112.0300	0.000	1	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)(H)	110.6437	0.977	3	111.2080	1.910	4	111.1940	1.434	5	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)(H)	112.9010	0.000	1	111.2080	1.910	4	111.1940	1.434	5	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	111.1380	0.000	1	111.1380	0.000	1	111.1940	1.434	5	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[5]C[5]2H)(H)	114.0530	0.000	1	114.0530	0.000	1	109.7414	7.337	5	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	108.6635	1.427	4	108.6635	2.037	4	109.7414	7.337	5	110.9282	4.191	38	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(N[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(N[5]C[5]2)	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	O(C[5]C[5,6]C[5]H)(CH3)	116.2880	0.000	1	116.0215	0.142	2	116.0215	0.142	2	112.4849	10.198	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	O(C[5]C[5,6]C[5]H)(CH3)	115.7550	0.000	1	116.0215	0.142	2	116.0215	0.142	2	112.4849	10.198	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CH3)	115.7770	0.000	1	115.7770	0.000	1	111.0103	21.824	3	112.4849	10.198	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]HH)2(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CN[6a]HH)	C[5](C[5]C[5,6a]HH)2(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	O(C[5]C[5]2H)(CN[6a]HH)	108.6270	3.093	2	108.6270	9.566	2	111.0103	21.824	3	112.4849	10.198	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC3)	111.9840	1.725	2	111.9840	2.977	2	111.9840	2.977	2	112.4849	10.198	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H){1|S<2>,2|C<3>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	O(C[5]C[5]2H)(SiC3)	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	112.4849	10.198	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	112.5030	0.000	1	112.5030	0.000	1	112.5030	0.000	1	112.4849	10.198	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[5]C[5,5]C[5]H)(H)	114.2730	0.000	1	114.2730	0.000	1	114.2730	0.000	1	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	107.1220	0.120	2	107.1220	0.014	2	106.5027	1.158	3	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5,6]C[5]H)(H)	105.2640	0.000	1	105.2640	0.000	1	106.5027	1.158	3	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5a]-3:C[5]-4:N-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	O(C[5]C[5]2H)(H)	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.4430	2.591	2	112.4430	6.712	2	112.3590	3.377	3	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.1910	0.000	1	112.1910	0.000	1	112.3590	3.377	3	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H){1|S<3>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	112.5792	1.833	6	111.6974	6.538	10	111.7272	5.894	11	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	O(C[5]C[5]2H)(H)	112.2510	0.000	1	111.6974	6.538	10	111.7272	5.894	11	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.7493	3.583	3	111.6974	6.538	10	111.7272	5.894	11	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.0250	0.000	1	112.0250	0.000	1	111.7272	5.894	11	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	111.5750	0.000	1	111.5750	0.000	1	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	111.6050	0.000	1	111.6050	0.000	1	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.4585	0.435	2	112.4585	0.189	2	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	113.0167	2.590	3	111.8965	5.329	11	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	O(C[5]C[5]2H)(H)	113.9110	0.000	1	111.8965	5.329	11	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	111.1286	2.157	7	111.8965	5.329	11	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.3912	2.644	4	112.3912	6.992	4	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.7918	1.644	4	112.7918	2.704	4	112.1604	3.908	23	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	108.4240	0.010	3	108.7940	9.829	16	108.7940	9.829	16	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)(H)	111.8100	0.000	1	108.7940	9.829	16	108.7940	9.829	16	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	O(C[5]C[5]2H)(H)	112.6460	0.000	1	108.7940	9.829	16	108.7940	9.829	16	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.8342	3.967	8	108.7940	9.829	16	108.7940	9.829	16	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	107.0690	0.153	2	108.7940	9.829	16	108.7940	9.829	16	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	106.1640	0.000	1	108.7940	9.829	16	108.7940	9.829	16	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	O(C[5]C[5]2H)(H)	113.6500	0.000	1	113.6500	0.000	1	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H){1|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5]2H)(H)	113.6270	0.000	1	113.6270	0.000	1	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	O(C[5]C[5]2H)(H)	106.9040	0.000	1	106.9040	0.000	1	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	107.1400	0.000	1	110.0402	10.668	6	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(H)	113.0203	0.055	3	110.0402	10.668	6	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(H)	107.0200	0.185	2	110.0402	10.668	6	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	104.4650	0.000	1	110.8142	8.064	13	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(H)	109.5034	2.097	5	110.8142	8.064	13	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.5333	0.375	3	110.8142	8.064	13	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.8780	0.000	1	110.8142	8.064	13	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	O(C[5]C[5]2H)(H)	110.7180	0.000	1	110.8142	8.064	13	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	O(C[5]C[5]2H)(H)	113.7030	0.414	2	110.8142	8.064	13	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	108.8512	1.514	4	108.6050	2.021	5	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[5]C[5]2H)(H)	107.6200	0.000	1	108.6050	2.021	5	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.3977	1.861	3	108.9056	2.287	5	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	109.6675	0.534	2	108.9056	2.287	5	110.0800	7.340	32	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	O(C[5]C[5]2H)(H)	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)(H)	110.8420	2.465	6	110.8420	6.077	6	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	O(C[5]C[5]2H)(H)	109.0920	0.000	1	109.0920	0.000	1	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(H)	113.0990	0.000	1	110.5010	12.443	4	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	108.0125	3.540	2	110.5010	12.443	4	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.8800	0.000	1	110.5010	12.443	4	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.8355	5.692	2	108.8355	32.393	2	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.6547	0.719	3	109.8251	6.043	12	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	O(C[5]C[5]2H)(H)	111.4910	0.000	1	109.8251	6.043	12	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	110.5055	3.477	4	109.8251	6.043	12	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	105.8320	0.000	1	109.8251	6.043	12	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	110.7770	0.000	1	109.8251	6.043	12	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	110.1210	0.000	1	109.8251	6.043	12	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	111.6940	0.000	1	109.8251	6.043	12	110.0688	7.318	25	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	110.3959	7.987	119	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H)	O(C[5]C[5]2H)(N[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(N[5]C[5]2)	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.8050	0.000	1	109.7363	1.194	3	109.7363	1.194	3	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.7020	1.543	2	109.7363	1.194	3	109.7363	1.194	3	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	O(C[5]C[5,5]C[5]H)(CH3)	109.1715	2.911	2	109.1715	8.475	2	109.1715	8.475	2	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	O(C[5]C[5,6]C[5]H)(SiC3)	106.9535	0.381	2	106.9535	0.145	2	106.9535	0.145	2	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(CH3)	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(CH3)	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(SC[6a]OO)	116.0530	0.000	1	116.0530	0.000	1	116.0530	0.000	1	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	O(C[5]C[5]2H)(SiC3)	111.5030	0.000	1	111.4603	0.569	4	111.9888	1.823	5	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(SiC3)	111.4460	0.923	3	111.4603	0.569	4	111.9888	1.823	5	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	O(C[5]C[5]2H)(SiC[6a]2C)	114.1030	0.000	1	114.1030	0.000	1	111.9888	1.823	5	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CH3)	111.7665	1.199	2	111.0510	2.254	3	111.0510	2.254	3	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CH3)	109.6200	0.000	1	111.0510	2.254	3	111.0510	2.254	3	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(C[6]C[6]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(C[6]C[6]2O)	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	110.7519	6.177	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	115.7555	4.716	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	115.7555	4.716	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:2:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:Si-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(SiC3)	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[5]C[3,5]C[5]H)(H)	106.6685	0.257	2	106.6685	0.066	2	106.6685	0.066	2	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	107.5495	1.329	6	107.5495	1.767	6	107.8519	1.816	8	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	108.7590	1.297	2	108.7590	1.682	2	107.8519	1.816	8	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	O(C[5]C[5]2H)(H)	112.3615	1.766	2	112.3615	3.118	2	112.3615	3.118	2	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:S-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.2330	0.000	1	111.2330	0.000	1	111.2330	0.000	1	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)2(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	O(C[5]C[5]2H)(H)	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	111.6120	0.000	1	111.6120	0.000	1	111.7380	7.239	8	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	113.1130	1.882	5	113.1130	3.543	5	111.7380	7.239	8	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	O(C[5]C[5]2H)(H)	106.9050	0.000	1	106.9050	0.000	1	111.7380	7.239	8	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	109.8220	0.000	1	109.8220	0.000	1	111.7380	7.239	8	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H){3|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	114.6060	0.000	1	114.6060	0.000	1	114.6060	0.000	1	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	109.9215	8.440	24	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2H)(CH3)	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	110.2708	1.064	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	112.2840	0.000	1	112.2840	0.000	1	110.7660	1.861	3	110.2708	1.064	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	110.0070	0.516	2	110.0070	0.266	2	110.7660	1.861	3	110.2708	1.064	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:Si-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(SiC3)	109.8990	0.000	1	109.8990	0.000	1	109.6920	0.086	2	110.2708	1.064	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:Si-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	O(C[5]C[5]2H)(SiC[6a]CO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	O(C[5]C[5]2H)(SiC[6a]CO)	109.4850	0.000	1	109.4850	0.000	1	109.6920	0.086	2	110.2708	1.064	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:3:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H)	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H){3|H<1>,4|C<3>}	C[5](N[5]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5,5]HO)(H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H){1|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.9475	0.852	2	109.9475	0.726	2	109.9475	0.726	2	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	O(C[5]C[5]2H)(H)	112.1710	0.355	2	112.1710	0.126	2	111.7818	8.187	5	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	111.3220	0.000	1	111.3220	0.000	1	111.7818	8.187	5	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	111.6225	5.662	2	111.6225	32.056	2	111.7818	8.187	5	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	109.3970	0.000	1	109.3970	0.000	1	114.7488	8.955	5	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	116.0867	0.077	4	116.0867	0.006	4	114.7488	8.955	5	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(H)	111.0015	0.808	2	111.0015	0.653	2	111.0015	0.653	2	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2H)(H)	115.4645	0.076	2	115.4645	0.006	2	115.4645	0.006	2	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.7400	0.000	1	108.7400	0.000	1	111.6355	16.768	2	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	114.5310	0.000	1	114.5310	0.000	1	111.6355	16.768	2	112.5361	9.865	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[5]C[5]2H)(CH3)	110.1625	0.760	2	110.1625	0.578	2	110.1715	0.195	4	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CH3)	110.1230	0.000	1	110.1230	0.000	1	110.1715	0.195	4	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(CH3)	110.2380	0.000	1	110.2380	0.000	1	110.1715	0.195	4	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	113.3920	0.000	1	113.3920	0.000	1	113.3920	0.000	1	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(CHHO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(CHHO)	109.1230	0.000	1	109.1230	0.000	1	111.0942	6.816	6	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	114.0520	0.000	1	111.4884	7.354	5	111.0942	6.816	6	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	110.8475	2.658	4	111.4884	7.354	5	111.0942	6.816	6	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]CH)	111.0620	0.000	1	111.0620	0.000	1	111.0620	0.000	1	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:P-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	O(C[5]C[5]2H)(PO3)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H){2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	O(C[5]C[5]2H)(PO3)	107.8040	0.000	1	107.8040	0.000	1	107.8040	0.000	1	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	110.4919	4.839	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	3:4:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3){1|N<3>,3|C<3>,4|H<1>}	O(C[5]C[5]2H)(CH3)	109.6860	0.013	2	109.6860	0.000	2	109.6860	0.000	2	109.6860	0.000	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[4,5]C[5]H)(H)	112.2280	0.000	1	109.8745	11.078	2	109.8745	11.078	2	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<3>}	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[4,5]C[5]H)(H)	107.5210	0.000	1	109.8745	11.078	2	109.8745	11.078	2	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2{1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	108.8730	0.000	1	108.8730	0.000	1	111.7032	12.166	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{2|H<1>,2|N<3>}	O(C[5]C[5,5]C[5]H)(H)	108.2040	0.000	1	108.2040	0.000	1	111.7032	12.166	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	108.2150	0.000	1	108.2150	0.000	1	111.7032	12.166	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	109.9960	3.075	2	112.5957	11.697	11	111.7032	12.166	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.1734	3.373	9	112.5957	11.697	11	111.7032	12.166	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{2|C<3>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.6010	0.000	1	111.6010	0.000	1	109.7938	4.268	5	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{1|H<1>,3|C<3>}	O(C[5]C[5,5]C[5]H)(H)	110.1243	1.680	3	110.1243	2.822	3	109.7938	4.268	5	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	O(C[5]C[5,5]C[5]H)(H)	106.9950	0.000	1	106.9950	0.000	1	109.7938	4.268	5	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	110.7627	3.222	3	110.7627	10.384	3	110.7116	9.292	5	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	113.4970	0.000	1	113.4970	0.000	1	110.7116	9.292	5	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	107.7730	0.000	1	107.7730	0.000	1	110.7116	9.292	5	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6]C[5]H)(H)	109.9350	1.646	4	109.9350	2.709	4	109.9350	2.709	4	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	108.6610	0.000	1	108.6610	0.000	1	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	108.2370	0.000	1	108.2370	0.000	1	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	O(C[5]C[5]2H)(H)	109.4800	2.841	3	109.4800	8.073	3	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	110.5820	0.000	1	109.0610	1.898	7	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	108.2510	0.684	2	109.0610	1.898	7	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.2297	1.876	3	109.0610	1.898	7	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	108.6540	0.000	1	109.0610	1.898	7	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	107.3340	0.000	1	110.1495	15.854	2	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	112.9650	0.000	1	110.1495	15.854	2	109.2189	3.598	14	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	109.3790	0.000	1	110.1770	1.274	2	110.4076	4.182	7	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.9750	0.000	1	110.1770	1.274	2	110.4076	4.182	7	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	O(C[5]C[5]2H)(H)	111.5275	0.387	2	111.5275	0.150	2	110.4076	4.182	7	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	O(C[5]C[5]2H)(H)	113.4210	0.000	1	113.4210	0.000	1	110.4076	4.182	7	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	108.5070	0.000	1	108.5070	0.000	1	110.4076	4.182	7	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(H)2{2|C<4>}	O(C[5]C[5]2H)(H)	107.5160	0.000	1	107.5160	0.000	1	110.4076	4.182	7	110.3486	7.008	51	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(NOO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(ON)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(NOO)	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2{4|C<4>}	O(C[5]C[5,5,6]C[5]H)(SiC3)	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	112.3700	0.000	1	112.3700	0.000	1	112.3967	4.924	6	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	107.9970	0.000	1	107.9970	0.000	1	112.3967	4.924	6	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CCHH)	113.5033	0.348	4	113.5033	0.121	4	112.3967	4.924	6	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:P-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(PC[6a]3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OP)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(PC[6a]3)	107.5255	1.126	2	107.5255	1.269	2	107.5255	1.269	2	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]H)(SCOO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OS)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SCOO)	106.2485	0.163	2	106.2485	0.027	2	106.2485	0.027	2	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	106.4870	0.000	1	106.4870	0.000	1	106.4870	0.000	1	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(SiC[6a]2C)	112.9715	2.163	2	112.9715	4.679	2	112.9715	4.679	2	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	O(C[5]C[5]2H)(CC[6a]HH)	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	110.5266	9.824	16	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	113.4161	7.509	15	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	106.3900	0.000	1	106.3900	0.000	1	106.3900	0.000	1	113.4161	7.509	15	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	110.4550	0.000	1	110.4550	0.000	1	114.0919	3.894	13	113.4161	7.509	15	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.4837	1.869	9	114.4837	3.495	9	114.0919	3.894	13	113.4161	7.509	15	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	113.3765	0.868	2	113.3765	0.753	2	114.0919	3.894	13	113.4161	7.509	15	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	115.6340	0.000	1	115.6340	0.000	1	114.0919	3.894	13	113.4161	7.509	15	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CHHO)	110.9230	0.000	1	110.9230	0.000	1	110.9230	0.000	1	111.1896	4.141	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	108.6080	0.000	1	110.3855	6.319	2	110.3855	6.319	2	111.1896	4.141	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	112.1630	0.000	1	110.3855	6.319	2	110.3855	6.319	2	111.1896	4.141	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:P-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H)	O(C[5]C[5]2H)(PO3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(PO3)	110.4933	0.018	3	110.4933	0.000	3	110.4933	0.000	3	111.1896	4.141	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	111.1896	4.141	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.6819	2.015	7	114.6819	4.060	7	114.6819	4.060	7	114.6819	4.060	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	117.3510	0.000	1	113.7155	26.434	2	113.7155	26.434	2	113.7155	26.434	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:2:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	110.0800	0.000	1	113.7155	26.434	2	113.7155	26.434	2	113.7155	26.434	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H){2|C<3>,2|O<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	111.8460	1.687	2	111.8460	2.846	2	111.8460	2.846	2	112.8213	2.485	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	112.5550	0.000	1	112.5550	0.000	1	113.3090	2.241	4	112.8213	2.485	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.5840	0.000	1	111.5840	0.000	1	113.3090	2.241	4	112.8213	2.485	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.5485	0.325	2	114.5485	0.105	2	113.3090	2.241	4	112.8213	2.485	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.1205	0.234	2	109.1205	0.055	2	109.5513	0.584	3	110.6093	2.339	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	110.4130	0.000	1	110.4130	0.000	1	109.5513	0.584	3	110.6093	2.339	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	110.6093	2.339	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(SiC[6a]2C)	111.9145	1.856	2	111.9145	3.445	2	111.9145	3.445	2	110.6093	2.339	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:3:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|N<3>}	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[4,5]C[5]H)(H)	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	111.8950	0.000	1	111.8950	0.000	1	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	107.3250	0.000	1	107.3250	0.000	1	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	112.4370	0.000	1	112.4370	0.000	1	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	110.0690	0.000	1	110.0690	0.000	1	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.6470	0.000	1	111.4233	5.258	10	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	111.3738	2.944	4	111.4233	5.258	10	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	112.3365	0.831	2	111.4233	5.258	10	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	110.1393	2.129	3	111.4233	5.258	10	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	111.1358	2.173	4	111.1358	4.723	4	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	108.5973	2.367	4	108.5973	5.602	4	110.6769	5.628	22	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.1630	0.000	1	114.1630	0.000	1	111.4485	14.737	2	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	108.7340	0.000	1	108.7340	0.000	1	111.4485	14.737	2	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	114.5150	0.000	1	114.5150	0.000	1	114.4043	0.079	3	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.3490	0.373	2	114.3490	0.139	2	114.4043	0.079	3	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	109.0000	0.737	2	109.0000	0.543	2	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	112.5240	0.000	1	112.5240	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.6130	0.000	1	109.6130	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	115.3975	0.740	2	115.3975	0.548	2	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	107.8590	0.000	1	107.8590	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	112.8960	0.000	1	111.3727	5.574	4	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	109.6100	0.000	1	111.3727	5.574	4	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	113.8660	0.000	1	111.3727	5.574	4	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	O(C[5]C[5]2H)(H)	109.1190	0.000	1	111.3727	5.574	4	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	110.8430	0.000	1	112.9863	3.669	3	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	O(C[5]C[5]2H)(H)	114.0580	0.669	2	112.9863	3.669	3	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	109.0690	0.129	2	109.0690	0.017	2	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.2470	0.000	1	112.2470	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	108.0420	0.000	1	108.0420	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	112.1880	0.873	2	112.1880	0.761	2	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	114.5730	0.000	1	114.5730	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.1440	0.000	1	114.1440	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[5]2H)(H)	112.7447	1.498	3	112.6584	4.061	5	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	112.5290	3.421	2	112.6584	4.061	5	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<3>}	O(C[5]C[5]2H)(H)	111.9650	0.000	1	111.9650	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	O(C[5]C[5]2H)(H)	116.0790	0.000	1	116.0790	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.1662	1.998	10	112.1662	3.990	10	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	108.7860	0.000	1	108.7860	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	108.8495	2.368	2	108.8495	5.608	2	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	112.3400	0.000	1	112.3400	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	109.9200	2.054	7	110.3911	3.389	10	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	111.4903	0.043	3	110.3911	3.389	10	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.6029	2.933	12	110.6112	5.924	133	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	112.9693	1.261	6	110.6112	5.924	133	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.5154	2.371	114	110.6112	5.924	133	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	107.4860	0.000	1	110.6112	5.924	133	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	O(C[5]C[5]2H)(H)	107.6420	0.000	1	107.6420	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.5940	0.000	1	109.5940	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	O(C[5]C[5]2H)(H)	111.6560	0.000	1	111.6560	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	111.6500	0.000	1	111.6500	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	112.4650	0.000	1	112.4650	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	111.3560	0.000	1	111.3560	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	113.1460	0.000	1	109.6668	4.545	5	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	108.7970	1.008	4	109.6668	4.545	5	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	112.4115	2.343	2	112.4115	5.488	2	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	111.8705	3.007	2	110.6993	8.637	3	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	108.3570	0.000	1	110.6993	8.637	3	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	111.0400	0.000	1	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.3606	2.078	27	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[5]C[5]2H)(H)	111.9150	0.000	1	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	112.3780	1.552	8	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.7278	2.816	53	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	110.8806	1.461	7	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	107.8130	0.000	1	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.5095	1.532	2	110.7129	6.082	100	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	111.8280	0.000	1	111.8280	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	108.2300	0.000	1	108.2300	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,1|S<2>}	O(C[5]C[5]2H)(H)	110.6910	0.078	2	110.6910	0.006	2	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|S<2>}	O(C[5]C[5]2H)(H)	112.3410	0.000	1	112.3410	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	116.4500	0.000	1	116.4500	0.000	1	110.8212	5.920	308	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	106.7720	0.000	1	106.7720	0.000	1	106.7720	0.000	1	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[5]2H)(H)	111.2470	1.956	3	111.2470	3.825	3	110.5207	2.709	27	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.1040	0.000	1	112.1040	0.000	1	110.5207	2.709	27	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H){1|O<1>,3|H<1>}	O(C[5]C[5]2H)(H)	111.5660	0.000	1	111.5660	0.000	1	110.5207	2.709	27	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.3219	1.679	21	110.3022	2.693	22	110.5207	2.709	27	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	109.8880	0.000	1	110.3022	2.693	22	110.5207	2.709	27	110.8218	5.764	364	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-1:	C[5]-4:C-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O)	O(C[5]C[5,5,6]C[5]H)(CHHO)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5,6]C[5]H)(CHHO)	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	112.9340	0.000	1	112.9340	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CH3)	109.2330	0.000	1	109.2330	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.8450	0.000	1	108.8450	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.9407	0.779	6	108.9407	0.607	6	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CH3)	111.0945	1.014	4	111.0945	1.029	4	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CCHH)	111.5375	2.939	2	111.5375	8.640	2	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.7925	1.374	4	109.7925	1.889	4	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CH3)	110.5945	0.407	2	110.5945	0.165	2	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.6720	0.000	1	108.6720	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	107.6920	0.000	1	108.5800	1.104	3	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CH3)	109.0240	1.013	2	108.5800	1.104	3	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.9760	0.000	1	108.9760	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CCHH)	109.7880	0.000	1	109.7880	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CH3)	109.4370	0.000	1	109.4370	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CCHH)	110.0013	0.094	3	110.0013	0.009	3	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	110.1570	0.000	1	110.1570	0.000	1	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	115.6877	0.692	3	115.6877	0.478	3	110.3516	4.512	35	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	109.5793	1.083	4	109.5793	1.173	4	109.5793	1.173	4	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CH3)	110.4535	1.766	2	110.4535	3.118	2	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	112.4960	0.000	1	112.4960	0.000	1	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<2>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	O(C[5]C[5]2H)(CCCH)	112.0080	0.000	1	108.9521	12.262	7	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCCH)	108.4428	3.540	6	108.9521	12.262	7	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(CH3)	112.2945	0.581	2	112.2945	0.337	2	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	113.4337	0.246	3	113.4337	0.060	3	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	108.2730	0.000	1	108.2730	0.000	1	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	108.9900	0.000	1	108.2190	1.189	2	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	107.4480	0.000	1	108.2190	1.189	2	110.3149	8.594	18	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:P-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(PNOO)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	O(C[5]C[5]2H)(PNOO)	107.1970	0.000	1	107.1970	0.000	1	109.2795	2.425	4	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:P-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(PO3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(PO3)	109.7870	1.133	2	109.7870	1.283	2	109.2795	2.425	4	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:P-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(PO3)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(OP)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(PO3)	110.3470	0.000	1	110.3470	0.000	1	109.2795	2.425	4	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(SCOO)	109.0550	0.000	1	109.0550	0.000	1	109.8370	1.223	2	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(SC[6a]OO)	110.6190	0.000	1	110.6190	0.000	1	109.8370	1.223	2	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(SiC3)	109.4000	0.000	1	109.4000	0.000	1	110.4807	2.548	16	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(SiC3)	110.8229	1.422	7	110.8229	2.022	7	110.4807	2.548	16	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(SiC[6a]2C)	108.0510	0.000	1	108.0510	0.000	1	110.4807	2.548	16	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(SiC3)	111.8470	0.851	2	111.1782	1.171	6	110.4807	2.548	16	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(SiC3)	110.8438	1.124	4	111.1782	1.171	6	110.4807	2.548	16	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5]2H)(SiC3)	107.4110	0.000	1	107.4110	0.000	1	110.4807	2.548	16	110.2657	4.466	82	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	114.4660	0.000	1	114.4660	0.000	1	114.4660	0.000	1	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	114.8480	0.163	2	114.8480	0.026	2	113.7355	6.730	8	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	116.1920	0.000	1	116.1920	0.000	1	113.7355	6.730	8	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	113.2425	4.676	2	113.2425	21.866	2	113.7355	6.730	8	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.4000	0.000	1	114.4000	0.000	1	113.7355	6.730	8	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	113.3270	0.000	1	113.3270	0.000	1	113.7355	6.730	8	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.7840	0.000	1	109.7840	0.000	1	113.7355	6.730	8	113.4533	6.608	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO){1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	111.5780	0.000	1	111.5780	0.000	1	109.9175	5.515	2	109.9175	5.515	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.2570	0.000	1	108.2570	0.000	1	109.9175	5.515	2	109.9175	5.515	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:3:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH)	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CC3)	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	116.4610	0.000	1	116.4610	0.000	1	112.4965	12.971	4	112.4374	9.746	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	114.3620	0.000	1	114.3620	0.000	1	112.4965	12.971	4	112.4374	9.746	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	108.4150	0.000	1	108.4150	0.000	1	112.4965	12.971	4	112.4374	9.746	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.7480	0.000	1	110.7480	0.000	1	112.4965	12.971	4	112.4374	9.746	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2{2|H<1>}	O(C[5]C[5]2H)(H)	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.4374	9.746	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CC3)	111.6545	0.114	2	111.6545	0.013	2	111.6545	0.013	2	111.6545	0.013	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:2:5:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-5:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.8075	0.308	2	110.8075	0.095	2	110.8075	0.095	2	110.8075	0.095	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	111.5103	0.768	3	111.5103	0.590	3	111.5103	0.590	3	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	111.6170	1.567	2	111.6170	2.455	2	112.1068	5.217	4	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	115.0700	0.000	1	115.0700	0.000	1	112.1068	5.217	4	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.1230	0.000	1	110.1230	0.000	1	112.1068	5.217	4	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	108.0210	0.000	1	109.3290	16.098	3	110.4942	16.163	4	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.9830	5.443	2	109.3290	16.098	3	110.4942	16.163	4	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.9900	0.000	1	113.9900	0.000	1	110.4942	16.163	4	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	107.8620	1.630	3	107.8620	2.657	3	107.8620	2.657	3	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.4420	0.000	1	110.4420	0.000	1	110.4420	0.000	1	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{3|C<4>}	O(C[5]C[5]2H)(H)	109.3670	0.000	1	112.1655	15.663	2	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	114.9640	0.000	1	112.1655	15.663	2	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.6430	0.000	1	111.6430	0.000	1	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2{1|S<2>,3|H<1>}	O(C[5]C[5]2H)(H)	105.2090	0.000	1	105.2090	0.000	1	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	111.1650	0.000	2	111.1650	0.000	2	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	111.8830	0.000	1	111.3430	2.045	4	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5]2H)(H)	110.1520	0.000	1	111.3430	2.045	4	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.6685	2.053	2	111.3430	2.045	4	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	109.8717	2.788	3	109.8717	7.770	3	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.6072	2.645	5	111.6072	6.994	5	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	107.3870	0.000	1	107.3870	0.000	1	110.7328	6.659	19	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	112.6130	0.990	2	112.6130	0.980	2	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	113.0590	0.000	1	113.0590	0.000	1	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	108.4170	0.000	1	108.4170	0.000	1	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	111.1960	0.000	1	111.1960	0.000	1	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	108.5310	3.192	2	109.2090	6.473	3	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.5650	0.000	1	109.2090	6.473	3	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	109.6250	0.000	1	109.6250	0.000	1	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2{1|F<1>,2|H<1>,4|C<3>}	O(C[5]C[5]2H)(H)	113.2730	0.000	1	113.2730	0.000	1	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	O(C[5]C[5]2H)(H)	111.3553	3.670	3	111.3553	13.471	3	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.6300	0.000	1	110.3008	4.726	40	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{4|H<1>}	O(C[5]C[5]2H)(H)	111.6310	0.000	1	110.3008	4.726	40	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	108.9623	1.878	3	110.3008	4.726	40	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.3395	2.225	35	110.3008	4.726	40	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	114.0700	0.000	1	114.0700	0.000	1	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.1580	0.141	2	114.1580	0.020	2	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	108.5270	0.000	1	110.5687	5.640	3	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	111.5895	2.242	2	110.5687	5.640	3	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H){2|C<3>}	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	107.9640	0.000	1	107.9640	0.000	1	110.6096	5.411	60	110.6390	5.792	95	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	109.2410	0.000	1	109.2410	0.000	1	109.6953	0.368	3	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(SiC3)	109.9225	0.653	2	109.9225	0.426	2	109.6953	0.368	3	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5,6]C[5]H)(CH3)	110.8360	0.000	1	110.5352	1.880	4	110.5352	1.880	4	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5,6]C[5]H)(CH3)	110.4350	1.661	3	110.5352	1.880	4	110.5352	1.880	4	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	109.3475	0.227	2	109.5217	0.117	3	109.5217	0.117	3	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	109.8700	0.000	1	109.5217	0.117	3	109.5217	0.117	3	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(Cl)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(SiC3)	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5]2H)(CC[6a]HH)	111.4710	0.000	1	111.4710	0.000	1	107.9019	3.881	7	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	O(C[5]C[5]2H)(CC[6a]HH)	106.7500	0.000	1	106.7500	0.000	1	107.9019	3.881	7	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	O(C[5]C[5]2H)(CC3)	107.2970	0.000	1	108.2830	0.730	3	107.9019	3.881	7	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{2|C<4>}	O(C[5]C[5]2H)(CC3)	108.7760	0.037	2	108.2830	0.730	3	107.9019	3.881	7	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	106.1215	0.993	2	106.1215	0.987	2	107.9019	3.881	7	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SiC3)	115.0970	0.000	1	115.0970	0.000	1	115.0970	0.000	1	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	111.5090	3.897	3	111.5090	15.188	3	109.3534	11.492	9	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CH3)	106.8028	1.152	4	106.8028	1.326	4	109.3534	11.492	9	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	111.2215	3.262	2	111.2215	10.640	2	109.3534	11.492	9	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	O(C[5]C[5]2H)(SiC3)	111.8450	0.385	2	111.8450	0.148	2	111.8450	0.148	2	109.5085	6.118	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H)	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H){1|C<4>,2|C<3>,2|F<1>}	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(H)	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	O(C[5]C[4,5]C[5]H)(H)	109.2840	0.000	1	108.7412	1.006	5	108.7412	1.006	5	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|H<1>,4|C<3>}	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	O(C[5]C[4,5]C[5]H)(H)	108.6055	1.104	4	108.7412	1.006	5	108.7412	1.006	5	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H)	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.6915	0.636	2	113.6915	0.404	2	113.6915	0.404	2	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	112.1555	2.363	4	112.1555	5.583	4	111.6871	3.331	7	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OS)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.7425	0.757	2	110.7425	0.574	2	111.6871	3.331	7	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){2|H<1>}	O(C[5]C[5]2H)(H)	111.7030	0.000	1	111.7030	0.000	1	111.6871	3.331	7	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	108.6807	1.315	3	108.6807	1.729	3	109.3176	5.451	7	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a])(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	109.7952	3.007	4	109.7952	9.040	4	109.3176	5.451	7	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	113.6840	0.000	1	113.1047	0.253	3	113.1047	0.253	3	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2H)(H)	112.8150	0.040	2	113.1047	0.253	3	113.1047	0.253	3	110.7763	5.332	26	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H){1|N<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	115.7930	0.000	1	115.7930	0.000	1	113.1623	10.732	4	112.8991	5.719	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|N<3>,2|C<4>}	O(C[5]C[5]2H)(CH3)	113.1200	4.335	2	113.1200	18.788	2	113.1623	10.732	4	112.8991	5.719	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|O<2>,2|C<4>}	O(C[5]C[5]2H)(CC[6a]HH)	110.6160	0.000	1	110.6160	0.000	1	113.1623	10.732	4	112.8991	5.719	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)2(OSi)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	O(C[5]C[5]2H)(SiC[6a]2C)	111.7420	0.000	1	111.7420	0.000	1	112.5483	0.737	3	112.8991	5.719	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)2(OSi)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(SiC[6a]2C)	113.4510	0.000	1	113.4510	0.000	1	112.5483	0.737	3	112.8991	5.719	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(SiC[6a]2C)	112.4520	0.000	1	112.4520	0.000	1	112.5483	0.737	3	112.8991	5.719	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.5140	0.000	1	109.5140	0.000	1	107.8660	1.426	4	108.3600	1.441	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	106.6550	0.000	1	106.6550	0.000	1	107.8660	1.426	4	108.3600	1.441	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(NCH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	107.6475	0.008	2	107.6475	0.000	2	107.8660	1.426	4	108.3600	1.441	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){4|H<1>}	O(C[5]C[5]2H)(H)	109.3520	0.000	1	109.3520	0.000	1	109.3480	0.000	2	108.3600	1.441	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.3440	0.000	1	109.3440	0.000	1	109.3480	0.000	2	108.3600	1.441	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(NHS)(H){1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	108.7195	1.248	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	108.5455	1.587	2	108.5455	2.520	2	108.5455	2.520	2	108.7195	1.248	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:O-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.7195	1.248	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	113.0710	2.042	2	113.0710	4.170	2	113.0710	4.170	2	113.0710	4.170	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC){1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	109.1040	14.056	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:3:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:S-3:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	109.1040	14.056	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	108.8250	0.470	4	108.8250	0.221	4	109.0012	0.321	5	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.7060	0.000	1	109.7060	0.000	1	109.0012	0.321	5	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	O(C[5]C[5]2H)(H)	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[5]C[5]2H)(H)	113.2575	3.253	2	113.2575	10.585	2	113.2575	10.585	2	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:F-1:	C[5]-4:H-1:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	115.6175	1.397	2	115.6175	1.950	2	115.6175	1.950	2	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	111.6605	7.393	2	111.6605	54.654	2	112.1574	12.200	7	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	110.3330	0.000	1	110.3330	0.000	1	112.1574	12.200	7	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){2|C<4>}	O(C[5]C[5]2H)(H)	109.9170	0.000	1	109.9170	0.000	1	112.1574	12.200	7	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	114.2480	0.441	2	114.2480	0.195	2	112.1574	12.200	7	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	113.0350	0.000	1	113.0350	0.000	1	112.1574	12.200	7	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	107.9860	0.000	1	107.9860	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.9230	1.629	2	111.9230	2.654	2	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.7300	0.000	1	111.7300	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	111.0770	0.000	1	111.0770	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	109.5820	0.000	1	109.5820	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	111.7110	3.096	2	111.7110	9.583	2	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){4|H<1>}	O(C[5]C[5]2H)(H)	110.1450	0.000	1	110.1450	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	113.3965	2.897	2	113.1280	4.413	3	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	112.5910	0.000	1	113.1280	4.413	3	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	107.7000	0.000	1	109.3420	5.392	2	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.9840	0.000	1	109.3420	5.392	2	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.0005	2.422	2	111.0005	5.865	2	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	110.3060	1.779	2	110.3060	3.165	2	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.4316	1.248	5	112.4316	1.558	5	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	113.8970	0.000	1	113.8970	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.3040	0.000	1	110.3040	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	113.3620	0.000	1	110.8387	7.625	3	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.5770	2.387	2	110.8387	7.625	3	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.0930	2.312	2	114.0930	5.346	2	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H){2|C<3>}	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.4930	0.000	1	111.4930	0.000	1	111.5169	4.258	31	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	111.4426	6.449	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	O(C[5]C[5]2H)(CCHH)	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	107.7677	3.098	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	105.7890	0.000	1	105.7890	0.000	1	105.7890	0.000	1	107.7677	3.098	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	107.7677	3.098	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	110.7975	1.637	2	110.7975	2.680	2	110.7975	2.680	2	113.1156	6.434	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	113.1156	6.434	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	113.1156	6.434	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	113.1156	6.434	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	114.6967	1.882	3	114.6967	3.542	3	114.6967	3.542	3	113.1156	6.434	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	113.7140	0.000	1	113.7140	0.000	1	113.7140	0.000	1	113.6860	0.002	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	113.6860	0.002	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	112.7910	0.000	1	112.7910	0.000	1	114.5373	2.863	3	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO){3|H<1>}	O(C[5]C[5]2H)(H)	114.6520	0.000	1	114.6520	0.000	1	114.5373	2.863	3	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	116.1690	0.000	1	116.1690	0.000	1	114.5373	2.863	3	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH){2|H<1>}	O(C[5]C[5]2H)(H)	108.9085	2.362	2	108.9085	5.581	2	108.9085	5.581	2	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|O<1>}	O(C[5]C[5]2H)(H)	111.3550	0.000	1	111.3550	0.000	1	110.1118	6.761	6	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.4415	0.576	2	110.4415	0.332	2	110.1118	6.761	6	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){4|H<1>}	O(C[5]C[5]2H)(H)	113.9870	0.000	1	113.9870	0.000	1	110.1118	6.761	6	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	107.2230	0.000	2	107.2230	0.000	2	110.1118	6.761	6	111.1000	9.602	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:3:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(CH3)	111.3515	3.969	2	111.3515	15.753	2	111.3515	15.753	2	111.3515	15.753	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H){1|O<1>,4|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	115.1797	1.793	3	115.1797	3.216	3	115.1797	3.216	3	112.6627	13.979	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	O(C[5]C[5,6]C[5]H)(H)	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	112.6627	13.979	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	116.4480	0.000	1	116.4480	0.000	1	111.4015	18.167	6	112.6627	13.979	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	O(C[5]C[5]2H)(H)	107.5800	0.000	1	107.5800	0.000	1	111.4015	18.167	6	112.6627	13.979	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	O(C[5]C[5]2H)(H)	106.3420	0.000	1	106.3420	0.000	1	111.4015	18.167	6	112.6627	13.979	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.0060	0.000	1	109.0060	0.000	1	111.4015	18.167	6	112.6627	13.979	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	114.5165	0.138	2	114.5165	0.019	2	111.4015	18.167	6	112.6627	13.979	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H)	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2	O(C[5]C[3,5]C[5]H)(SCOO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H){1|O<1>,3|H<1>}	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[3,5]C[5]H)(SCOO)	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	112.8347	7.212	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	112.8347	7.212	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:3:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	O(C[5]C[5]2H)(CCHH)	114.0260	2.496	2	114.0260	6.230	2	114.0260	6.230	2	112.8347	7.212	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2{3|C<4>}	O(C[5]C[3,5,6]C[5]H)(H)	109.0850	0.000	1	109.0850	0.000	1	108.4407	1.732	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2{1|O<2>,2|C<4>}	O(C[5]C[3,5,6]C[5]H)(H)	109.9810	0.000	1	109.9810	0.000	1	108.4407	1.732	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[3,5,6]C[5]H)(H)	107.3485	0.153	2	107.3485	0.024	2	108.4407	1.732	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H){1|N<3>,4|H<1>}	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[3,5]C[5]H)(H)	107.2880	0.000	1	107.2880	0.000	1	110.2774	6.316	5	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2{1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]H)(H)	112.8820	0.124	2	112.8820	0.015	2	110.2774	6.316	5	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[3,5]C[5]H)(H)	109.1675	0.530	2	109.1675	0.281	2	110.2774	6.316	5	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HO)(H)2{1|O<2>,4|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	108.8470	2.554	2	108.8470	6.523	2	108.8470	6.523	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	113.1437	0.450	4	113.1437	0.202	4	113.1437	0.202	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{1|C<3>,3|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	106.7340	0.000	1	106.7340	0.000	1	107.7362	1.680	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	107.2850	0.017	2	107.2850	0.000	2	107.7362	1.680	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,5,6]C[5]H)(H)	109.6410	0.000	1	109.6410	0.000	1	107.7362	1.680	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5]C[5,5]C[5]H)(H)	113.0175	2.913	2	113.0175	8.483	2	113.0175	8.483	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.1080	0.000	1	108.1080	0.000	1	108.7955	0.945	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O(C[5]C[5,5]C[5]H)(H)	109.4830	0.000	1	109.4830	0.000	1	108.7955	0.945	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	115.7490	0.000	1	115.7490	0.000	1	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	108.0460	0.000	1	108.0460	0.000	1	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	O(C[5]C[5,5]C[5]H)(H)	106.2510	0.000	1	110.6195	38.168	2	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	O(C[5]C[5,5]C[5]H)(H)	114.9880	0.000	1	110.6195	38.168	2	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)2(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,5]HO)2(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	115.5140	0.000	1	115.5140	0.000	1	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	113.0155	0.272	2	113.4087	0.501	3	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|Si<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	114.1950	0.000	1	113.4087	0.501	3	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|H<1>,1|S<2>,2|C<3>}	O(C[5]C[5,5]C[5]H)(H)	107.5650	0.000	1	107.5650	0.000	1	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)2(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]HO)2(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,5]C[5]H)(H)	115.6740	0.000	1	115.6740	0.000	1	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2{2|C<3>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	110.3820	3.738	2	110.3820	13.971	2	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	109.8490	0.000	1	109.8490	0.000	1	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.8030	0.000	1	108.8030	0.000	1	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	115.6277	0.165	4	115.6277	0.027	4	112.5522	12.084	18	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6,6]C[5]H)(H)	111.7060	0.000	1	111.7060	0.000	1	111.7060	0.000	1	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6,6]C[5]H)(H)	109.7280	0.000	1	109.7280	0.000	1	109.3690	0.258	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,6,6]C[5]H)(H)	109.0100	0.000	1	109.0100	0.000	1	109.3690	0.258	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	106.7970	0.040	2	106.7970	0.002	2	106.7970	0.002	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	111.5870	0.379	2	111.5870	0.144	2	111.5870	0.144	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H){1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2{4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[5,6]C[5]H)(H)	115.6930	0.052	2	115.6930	0.003	2	115.6930	0.003	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{5|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.9400	0.000	1	113.2550	0.938	2	113.2550	0.938	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{1|O<2>,4|H<1>,5|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.5700	0.000	1	113.2550	0.938	2	113.2550	0.938	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.1720	1.886	4	109.1720	3.556	4	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	110.6960	0.567	2	110.5457	0.229	3	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,6|C<4>}	O(C[5]C[5,6]C[5]H)(H)	110.2450	0.000	1	110.5457	0.229	3	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)(H)	107.8120	0.000	1	111.8773	12.442	3	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.9100	0.305	2	111.8773	12.442	3	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2{3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.8020	0.000	1	112.8020	0.000	1	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,6]C[5]H)(H)	109.4173	1.321	3	109.4173	1.744	3	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2{1|C<3>,1|N<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.1000	0.000	1	109.1000	0.000	1	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|S<2>,3|C<3>}	O(C[5]C[5,6]C[5]H)(H)	109.9580	0.197	2	109.9580	0.039	2	110.2369	3.905	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(Br)(H){1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	111.3940	0.000	1	111.3940	0.000	1	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	115.6440	0.000	1	115.6440	0.000	1	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.0320	0.000	1	112.0320	0.000	1	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.4570	0.000	1	112.4570	0.000	1	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.5360	0.000	1	111.5360	0.000	1	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	O(C[5]C[5,6]C[5]H)(H)	116.5670	0.000	1	115.2725	3.351	2	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>}	O(C[5]C[5,6]C[5]H)(H)	113.9780	0.000	1	115.2725	3.351	2	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	108.0770	0.231	2	108.0770	0.053	2	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	113.4010	0.000	1	112.1408	3.945	53	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	110.8140	0.000	1	112.1408	3.945	53	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.6830	3.431	2	112.1408	3.945	53	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.2511	1.920	47	112.1408	3.945	53	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.0400	0.328	2	112.1408	3.945	53	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.0402	1.970	6	112.0402	3.881	6	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	113.3530	0.000	1	113.8560	0.223	3	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	114.1075	0.260	2	113.8560	0.223	3	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O(C[5]C[5,6]C[5]H)(H)	110.9640	0.849	2	110.9640	0.720	2	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	110.0760	0.000	1	110.0760	0.000	1	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.3570	1.074	3	111.3570	1.154	3	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	111.5570	0.000	1	110.3455	2.935	2	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.1340	0.000	1	110.3455	2.935	2	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.5805	1.319	2	111.7595	2.815	4	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.6950	0.000	1	111.7595	2.815	4	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	112.1820	0.000	1	111.7595	2.815	4	112.0583	4.061	83	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H){1|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2{1|Br<1>,1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	107.9010	0.000	1	107.9010	0.000	1	108.2220	0.206	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H){1|S<4>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	108.5430	0.000	1	108.5430	0.000	1	108.2220	0.206	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,4|C<4>}	O(C[5]C[5]2H)(H)	111.6290	0.000	1	111.6290	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	113.4540	0.000	1	113.4540	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.9880	0.000	1	111.9880	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5]2H)(H)	112.6520	0.000	1	112.6520	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	114.0440	0.000	1	114.0440	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	115.3300	0.000	1	115.3300	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2{2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	114.0470	0.000	1	114.0470	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	114.0870	3.799	2	111.1630	9.971	6	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	109.9293	2.139	3	111.1630	9.971	6	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.0160	0.000	1	111.1630	9.971	6	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){3|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5]2H)(H)	106.7520	0.000	1	106.7520	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	109.4450	0.000	1	109.4450	0.000	1	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)2(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)2(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	112.4140	0.000	1	109.1815	20.898	2	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)2(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)2(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	105.9490	0.000	1	109.1815	20.898	2	111.4519	8.871	17	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,4|C<3>}	O(C[5]C[5]2H)(H)	115.1950	0.000	1	115.1950	0.000	1	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2{3|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	111.6300	1.963	2	111.6300	3.853	2	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	109.6130	0.000	1	109.6130	0.000	1	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	113.0080	0.000	1	111.0740	4.172	5	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(H)	111.1140	0.000	1	111.0740	4.172	5	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	108.9790	0.000	1	111.0740	4.172	5	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(H)	111.1345	2.924	2	111.0740	4.172	5	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	109.7140	0.000	1	111.2703	3.120	3	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(H)	112.0485	1.614	2	111.2703	3.120	3	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2H)(H)	109.4750	0.000	1	109.4750	0.000	1	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.5560	0.000	1	110.4150	2.604	2	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	109.2740	0.000	1	110.4150	2.604	2	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	112.7710	0.000	1	111.1465	5.278	2	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	109.5220	0.000	1	111.1465	5.278	2	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	108.9445	0.202	2	108.9445	0.041	2	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.4790	0.000	1	111.4790	0.000	1	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	109.4973	2.412	4	109.4973	5.816	4	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	113.7020	0.000	1	113.7020	0.000	1	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)2(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	112.0770	0.000	1	112.0770	0.000	1	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)2(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,5|H<1>}	O(C[5]C[5]2H)(H)	114.0090	0.000	1	109.9940	12.413	3	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)2(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	107.9865	0.804	2	109.9940	12.413	3	110.7919	4.591	29	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:F-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	115.6685	0.035	2	115.6685	0.001	2	115.6685	0.001	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(Br)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	111.2690	0.000	1	111.2690	0.000	1	111.8427	1.010	3	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.2560	0.000	1	111.2560	0.000	1	111.8427	1.010	3	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	113.0030	0.000	1	113.0030	0.000	1	111.8427	1.010	3	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:H-1:	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	114.7300	0.000	1	114.7300	0.000	1	112.2195	12.605	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:H-1:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2{2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.7090	0.000	1	109.7090	0.000	1	112.2195	12.605	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	113.0310	0.000	1	112.5680	5.689	4	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.4137	2.897	3	112.5680	5.689	4	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	O(C[5]C[5]2H)(H)	114.3280	0.000	1	114.3280	0.000	1	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(H)	113.7840	0.000	1	112.5074	4.714	5	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	112.1882	2.368	4	112.5074	4.714	5	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(H)	113.4140	0.000	1	107.3830	11.467	5	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	105.8752	0.367	4	107.3830	11.467	5	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	O(C[5]C[5]2H)(H)	108.4830	0.000	1	108.4830	0.000	1	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[5]C[5]2H)(H)	115.1475	0.170	2	115.1475	0.029	2	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	113.1813	4.381	6	113.1813	19.197	6	111.7466	14.409	24	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	114.3630	0.000	1	114.3630	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	O(C[5]C[5]2H)(H)	112.5760	0.000	1	112.5760	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5]2H)(H)	109.8310	0.000	1	109.8310	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	109.8740	0.000	1	109.8740	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.5220	0.000	1	109.5220	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5]2H)(H)	111.0930	0.944	5	110.5223	3.519	10	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	113.5790	0.000	1	110.5223	3.519	10	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5]2H)(H)	109.0447	1.673	4	110.5223	3.519	10	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5]2H)(H)	110.6780	0.000	1	110.7536	0.549	8	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	O(C[5]C[5]2H)(H)	109.9940	0.741	2	110.7536	0.549	8	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	110.5710	0.513	2	110.7536	0.549	8	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.4070	0.511	3	110.7536	0.549	8	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	O(C[5]C[5]2H)(H)	109.5420	0.000	1	109.5420	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.7550	0.000	1	111.4834	0.607	5	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	111.1655	0.368	4	111.4834	0.607	5	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	113.1260	0.000	1	113.1260	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.4020	0.000	1	111.7120	1.800	7	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	111.9152	1.581	5	111.7120	1.800	7	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.0060	0.000	1	111.7120	1.800	7	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.3070	0.000	1	111.3070	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[5]C[5]2H)(H)	109.6420	2.640	2	109.6420	6.971	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	109.2860	0.000	1	109.2860	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5]2H)(H)	112.2500	0.000	1	112.2500	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	113.7920	0.000	1	115.0388	0.973	6	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,3|H<1>}	O(C[5]C[5]2H)(H)	115.2882	0.866	5	115.0388	0.973	6	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){1|Br<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	114.2290	0.000	1	114.2290	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	107.8760	0.000	1	107.8760	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.3830	0.000	1	110.3830	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)2(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(H)2{2|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	110.5290	0.000	1	110.5290	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	110.5310	0.000	1	110.5310	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	110.0870	0.000	1	110.0870	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	109.2597	1.919	4	110.2500	7.666	5	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5]2H)(H)	114.2110	0.000	1	110.2500	7.666	5	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	109.4100	0.000	1	110.5810	5.576	3	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	109.0340	0.000	1	110.5810	5.576	3	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5]2H)(H)	113.2990	0.000	1	110.5810	5.576	3	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	O(C[5]C[5]2H)(H)	110.9000	0.000	1	110.9000	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	107.1950	0.000	1	109.5011	3.866	42	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	109.9085	2.494	2	109.5011	3.866	42	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	O(C[5]C[5]2H)(H)	110.3720	0.000	1	109.5011	3.866	42	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	O(C[5]C[5]2H)(H)	110.8730	0.000	1	109.5011	3.866	42	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|Co<6>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	O(C[5]C[5]2H)(H)	109.4575	6.561	2	109.5011	3.866	42	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.4821	1.723	35	109.5011	3.866	42	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	106.6220	0.000	1	106.6220	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	109.6090	0.000	1	109.6090	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	113.9880	0.000	1	113.9880	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	109.9357	2.212	7	110.9457	9.388	13	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	110.0900	0.000	1	110.9457	9.388	13	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	112.5308	3.964	5	110.9457	9.388	13	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	112.3520	0.000	1	112.3520	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	112.6280	0.000	1	112.6280	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	106.4750	0.000	2	106.4750	0.000	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.5879	1.785	12	111.5879	3.187	12	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	109.4406	1.290	10	109.4406	1.664	10	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(H)	111.5370	1.876	15	111.0924	4.274	52	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	110.9122	2.138	37	111.0924	4.274	52	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.8930	0.000	1	110.4554	6.966	7	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	110.3825	2.883	6	110.4554	6.966	7	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(H)	109.3737	1.880	3	110.4521	7.165	49	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	110.5225	2.721	46	110.4521	7.165	49	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.6690	0.000	1	112.6690	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.6530	0.000	1	111.6180	0.002	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.5830	0.000	1	111.6180	0.002	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)2(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)2(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.2530	7.842	2	110.2530	61.494	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	O(C[5]C[5]2H)(H)	113.9170	0.000	2	113.9170	0.000	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	O(C[5]C[5]2H)(H)	111.5575	0.405	2	111.5575	0.164	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	108.6000	0.136	2	108.6000	0.018	2	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	O(C[5]C[5]2H)(H)	110.8180	0.000	1	110.8180	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|N<3>}	O(C[5]C[5]2H)(H)	115.5680	0.000	1	115.5680	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	110.8940	0.000	1	110.8940	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	108.1200	0.000	1	108.1200	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	108.1250	0.000	1	108.1250	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	107.7300	0.000	1	107.7300	0.000	1	110.6628	5.608	272	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:H-1:	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	O(C[5]C[5]2H)(H)	111.0090	0.000	1	111.0090	0.000	1	111.4847	12.620	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	116.5170	0.000	1	116.5170	0.000	1	111.4847	12.620	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	108.2240	0.000	1	108.2240	0.000	1	111.4847	12.620	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.1890	0.000	1	110.1890	0.000	1	111.4847	12.620	4	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	109.5250	3.315	2	109.5250	10.989	2	109.2410	5.736	3	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	108.6730	0.000	1	108.6730	0.000	1	109.2410	5.736	3	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	112.3250	0.581	2	112.3250	0.338	2	112.3250	0.338	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|N<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	108.9470	0.000	1	108.9470	0.000	1	108.1395	1.304	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	107.3320	0.000	1	107.3320	0.000	1	108.1395	1.304	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	108.8090	0.000	2	108.5083	0.271	3	108.5083	0.271	3	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5]2H)(H)	107.9070	0.000	1	108.5083	0.271	3	108.5083	0.271	3	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|Co<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.4225	0.407	2	110.4225	0.165	2	110.4225	0.165	2	111.0355	6.531	525	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2	O(C[5]C[3,5]C[5]H)(SiC3)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[3,5]C[5]H)(SiC3)	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3x5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2	O(C[5]C[3x5]C[5]H)(SCOO)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(OS)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[3x5]C[5]H)(SCOO)	104.7650	0.000	1	104.7650	0.000	1	104.7650	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2	O(C[5]C[4,5]C[5]H)(CC3)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[4,5]C[5]H)(CC3)	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5,5,6]C[5]H)(SiC3)	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HO)(H)2{2|C<3>,4|C<4>}	O(C[5]C[5,5]C[5]H)(SiC3)	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|H<1>,1|O<1>,4|C<4>}	O(C[5]C[5,5]C[5]H)(SiC3)	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	112.6565	0.757	2	112.6565	0.574	2	113.6887	6.910	4	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	111.9020	0.000	1	114.7210	15.894	2	113.6887	6.910	4	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	117.5400	0.000	1	114.7210	15.894	2	113.6887	6.910	4	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OS)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6,6]C[5]H)(CHHO)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{4|C<4>}	O(C[5]C[5,6,6]C[5]H)(CHHO)	114.4140	0.000	1	114.4140	0.000	1	114.4140	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)(CH3)	110.7290	0.000	1	110.7290	0.000	1	110.9570	0.074	3	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	111.0710	0.263	2	111.0710	0.069	2	110.9570	0.074	3	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC3)	113.5193	0.872	9	113.5193	0.760	9	113.1144	1.293	14	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	112.5630	0.000	1	112.5630	0.000	1	113.1144	1.293	14	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(CH3)	114.1410	0.000	1	114.1410	0.000	1	113.1144	1.293	14	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CH3)	110.8740	0.000	1	110.8740	0.000	1	113.1144	1.293	14	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CH3)	112.9210	0.000	1	112.9210	0.000	1	113.1144	1.293	14	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	O(C[5]C[5,6]C[5]H)(CHHO)	111.4290	0.000	1	111.4290	0.000	1	113.1144	1.293	14	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	113.0170	0.000	1	112.9520	0.008	2	111.9472	1.958	5	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	112.8870	0.000	1	112.9520	0.008	2	111.9472	1.958	5	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	109.6810	0.000	1	111.2773	2.230	3	111.9472	1.958	5	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5,6]C[5]H)(SiC3)	112.0755	0.798	2	111.2773	2.230	3	111.9472	1.958	5	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CCHH)	113.6790	0.000	1	113.6790	0.000	1	111.1860	12.430	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|C<4>,4|H<1>}	O(C[5]C[5]2H)(CCHH)	108.6930	0.000	1	108.6930	0.000	1	111.1860	12.430	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H){1|S<2>,2|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	O(C[5]C[5]2H)(SiC3)	110.3500	0.000	1	110.3500	0.000	1	110.3500	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CH3)	109.6650	0.000	2	111.6765	4.792	12	111.6765	4.792	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Cl<1>,1|O<1>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CH3)	112.0788	2.186	10	111.6765	4.792	12	111.6765	4.792	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(SiC3)	113.1380	0.000	1	113.1380	0.000	1	110.8680	1.717	5	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,5]HH)2(OSi)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]HH)2(OSi)(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(SiC3)	109.9740	0.000	2	109.9740	0.000	2	110.8680	1.717	5	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,5]HH)2(OSi)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]HH)2(OSi)(H){1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(SiC3)	110.6270	0.000	2	110.6270	0.000	2	110.8680	1.717	5	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]CH)	113.8590	0.000	1	113.8590	0.000	1	110.5245	22.238	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	107.1900	0.000	1	107.1900	0.000	1	110.5245	22.238	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	O(C[5]C[5]2H)(SiC3)	114.4110	0.000	1	114.4110	0.000	1	113.1413	1.921	3	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(SiC3)	111.6630	0.000	1	111.6630	0.000	1	113.1413	1.921	3	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	O(C[5]C[5]2H)(SiC3)	113.3500	0.000	1	113.3500	0.000	1	113.1413	1.921	3	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)2(OC[6])(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	110.7650	0.000	1	110.7650	0.000	1	111.8605	2.400	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)2(OC[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	112.9560	0.000	1	112.9560	0.000	1	111.8605	2.400	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2{2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(CCCH)	112.0570	0.000	1	112.0570	0.000	1	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5]2H)(CC3)	114.1320	0.000	2	114.1320	0.000	2	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	113.6065	0.308	2	113.6065	0.095	2	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CH3)	111.3129	2.966	16	111.3129	8.799	16	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	108.9823	3.638	3	108.9823	13.239	3	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CH3)	112.4790	1.888	4	112.4790	3.566	4	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<2>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CCCH)	107.2370	0.000	1	111.7570	8.777	7	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CCCH)	112.5103	2.401	6	111.7570	8.777	7	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	108.5160	0.000	1	108.5160	0.000	1	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CH3)	108.8665	0.798	2	108.8665	0.637	2	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)2(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{4|H<1>}	O(C[5]C[5]2H)(CH3)	109.6747	3.360	12	109.6747	11.288	12	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)2(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)2(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(CH3)	111.6759	3.022	12	111.6759	9.130	12	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	115.6850	0.000	1	115.6850	0.000	1	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CH3)	112.7305	0.465	2	112.7305	0.216	2	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(CCHH)	107.6635	1.126	2	107.6635	1.269	2	111.1438	9.093	67	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:P-4:	C[5](C[5]C[5]HH)2(OP)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(PC[6a]SS)	C[5](C[5]C[5]HH)2(OP)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	O(C[5]C[5]2H)(PC[6a]SS)	111.3220	1.158	2	111.3220	1.342	2	111.3220	1.342	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<2>,3|C<3>}	O(C[5]C[5]2H)(SC[6a]OO)	113.7553	3.295	3	113.7553	10.858	3	109.4927	12.784	10	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	O(C[5]C[5]2H)(SO3)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	O(C[5]C[5]2H)(SO3)	109.1720	0.000	1	109.1720	0.000	1	109.4927	12.784	10	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	O(C[5]C[5]2H)(SCOO)	108.1180	0.000	1	108.1180	0.000	1	109.4927	12.784	10	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OS)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SC[6a]OO)	106.4830	0.000	1	106.4830	0.000	1	109.4927	12.784	10	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)2(OS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HH)2(OS)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	O(C[5]C[5]2H)(SCOO)	109.1385	0.582	2	109.1385	0.339	2	109.4927	12.784	10	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)2(OS)(H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HH)2(OS)(H){1|S<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	O(C[5]C[5]2H)(SCOO)	105.8055	0.032	2	105.8055	0.001	2	109.4927	12.784	10	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	O(C[5]C[5]2H)(SiC3)	114.4660	0.000	1	113.5510	1.674	2	111.7989	5.575	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|C<4>}	O(C[5]C[5]2H)(SiC3)	112.6360	0.000	1	113.5510	1.674	2	111.7989	5.575	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2H)(SiC3)	109.9490	0.000	1	109.9490	0.000	1	111.7989	5.575	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SiC3)	113.1840	1.541	4	113.1840	2.374	4	111.7989	5.575	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SiC[6a]2C)	108.9540	0.000	1	108.9540	0.000	1	111.7989	5.575	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5]2H)(SiC3)	111.2680	3.062	3	111.2680	9.373	3	111.7989	5.575	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	O(C[5]C[5]2H)(SiC[6a]CO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SiC[6a]CO)	109.0420	0.000	1	109.0420	0.000	1	111.7989	5.575	12	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	113.2985	1.220	2	113.2985	1.488	2	113.2985	1.488	2	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	O(C[5]C[5]2H)(SO3)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OS)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(SO3)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	O(C[5]C[5]2H)(CCHH)	111.8420	0.000	1	111.8420	0.000	1	111.8420	0.000	1	111.3631	7.411	159	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[3,5]C[5]H)(H)	109.3750	0.000	1	109.3750	0.000	1	108.9245	0.406	2	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[3,5]C[5]H)(H)	108.4740	0.000	1	108.4740	0.000	1	108.9245	0.406	2	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	O(C[5]C[3,5]C[5]H)(H)	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	O(C[5]C[4,5]C[5]H)(H)	112.5645	0.521	2	112.5645	0.272	2	112.5645	0.272	2	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(H)	106.7000	0.000	1	106.7000	0.000	1	106.7000	0.000	1	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	114.1500	0.000	1	114.1500	0.000	1	112.7151	4.865	9	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	116.5650	0.000	1	116.5650	0.000	1	112.7151	4.865	9	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	111.0970	0.119	4	111.0970	0.014	4	112.7151	4.865	9	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	110.3980	0.000	1	113.1110	5.525	3	112.7151	4.865	9	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5]C[5]H)(H)	114.4675	0.098	2	113.1110	5.525	3	112.7151	4.865	9	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(H)	113.4220	1.335	2	113.4220	1.782	2	113.1653	1.089	3	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(H)	112.6520	0.000	1	112.6520	0.000	1	113.1653	1.089	3	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	107.8370	0.000	1	107.8370	0.000	1	111.2640	23.489	2	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	114.6910	0.000	1	114.6910	0.000	1	111.2640	23.489	2	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	O(C[5]C[5,6]C[5]H)(H)	109.0360	0.000	1	109.0360	0.000	1	113.8307	7.477	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	114.3830	0.000	1	114.3830	0.000	1	113.8307	7.477	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	116.1920	0.000	1	116.1920	0.000	1	113.8307	7.477	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	113.2430	0.000	1	113.2430	0.000	1	113.8307	7.477	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	110.4260	0.000	1	114.4480	7.201	4	113.8307	7.477	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.8640	0.000	2	114.4480	7.201	4	113.8307	7.477	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	115.6380	0.000	1	114.4480	7.201	4	113.8307	7.477	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	O(C[5]C[5]2H)(H)	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,5|H<1>}	O(C[5]C[5]2H)(H)	114.7285	1.408	2	114.7285	1.982	2	114.7285	1.982	2	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CN)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	113.5870	0.000	1	113.5870	0.000	1	113.5870	0.000	1	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	O(C[5]C[5]2H)(H)	109.3415	0.549	2	109.3415	0.302	2	110.8855	11.805	11	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	106.3750	0.000	1	106.3750	0.000	1	110.8855	11.805	11	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	O(C[5]C[5]2H)(H)	108.0040	0.000	1	108.0040	0.000	1	110.8855	11.805	11	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(H)	114.2468	0.068	4	114.2468	0.005	4	110.8855	11.805	11	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	114.7970	0.000	1	109.8970	18.097	3	110.8855	11.805	11	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	107.4470	0.424	2	109.8970	18.097	3	110.8855	11.805	11	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	O(C[5]C[5]2H)(H)	109.4460	0.000	1	109.4460	0.000	1	110.5600	3.612	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.0520	0.000	1	111.0520	0.000	1	110.5600	3.612	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	107.3690	0.000	1	107.3690	0.000	1	110.5600	3.612	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	113.5070	0.000	1	113.5070	0.000	1	110.5600	3.612	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	109.1810	0.000	1	110.7765	1.582	4	110.5600	3.612	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	111.7830	0.000	2	110.7765	1.582	4	110.5600	3.612	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	110.3590	0.000	1	110.7765	1.582	4	110.5600	3.612	8	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	O(C[5]C[5]2H)(H)	113.4470	0.000	1	113.4470	0.000	1	110.5347	8.011	3	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	110.3630	0.000	1	110.3630	0.000	1	110.5347	8.011	3	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2H)(H)	107.7940	0.000	1	107.7940	0.000	1	110.5347	8.011	3	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.6885	1.282	2	111.6885	1.643	2	111.6885	1.643	2	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	111.7960	0.000	1	111.7960	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.4220	0.000	1	111.4220	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	O(C[5]C[5]2H)(H)	113.6660	0.000	1	113.6660	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	O(C[5]C[5]2H)(H)	108.1110	0.000	1	110.4285	4.394	4	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	O(C[5]C[5]2H)(H)	111.8815	1.801	2	110.4285	4.394	4	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	O(C[5]C[5]2H)(H)	109.8400	0.000	1	110.4285	4.394	4	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	O(C[5]C[5]2H)(H)	111.8120	0.000	1	111.8120	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	O(C[5]C[5]2H)(H)	109.2330	0.000	1	109.2330	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)(H)	112.4770	0.000	1	111.8118	3.744	4	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	111.1990	3.118	2	111.8118	3.744	4	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	112.3720	0.000	1	111.8118	3.744	4	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.6810	0.000	1	110.6810	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	107.4460	0.000	1	107.4460	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.1990	0.000	1	110.1990	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	O(C[5]C[5]2H)(H)	109.3990	1.351	2	109.3990	1.824	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.1000	0.000	1	110.6120	0.524	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	O(C[5]C[5]2H)(H)	111.1240	0.000	1	110.6120	0.524	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	113.3330	0.000	1	113.3330	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	O(C[5]C[5]2H)(H)	110.5920	0.000	1	110.5920	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)2(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	113.5250	0.000	1	113.5250	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.7780	0.000	1	110.7780	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	O(C[5]C[5]2H)(H)	108.3600	0.000	1	108.3600	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	O(C[5]C[5]2H)(H)	115.0720	0.000	1	115.0720	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2H)(H)	113.0600	0.000	1	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	107.5370	0.000	1	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.8240	0.000	1	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	111.0110	2.994	2	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	109.9000	0.000	1	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	110.6180	1.556	2	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	116.2400	0.000	1	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2H)(H)	112.7170	0.540	2	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.2620	0.000	1	111.6263	5.485	12	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.7950	0.000	1	110.7950	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	112.1800	0.000	1	112.1800	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.3520	0.000	1	112.3520	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(H)	112.8514	3.113	5	112.8514	9.690	5	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	O(C[5]C[5]2H)(H)	110.4240	0.000	1	110.4240	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	O(C[5]C[5]2H)(H)	111.1800	0.000	1	111.1800	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	O(C[5]C[5]2H)(H)	115.6305	0.685	2	115.6305	0.469	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	112.6550	0.000	1	112.6550	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	109.6770	0.000	1	109.6770	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	113.9134	1.636	13	113.9134	2.677	13	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	112.8500	3.404	2	112.8500	11.587	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	111.8211	2.687	8	111.8211	7.222	8	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	109.9120	0.000	1	109.9120	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	O(C[5]C[5]2H)(H)	111.4287	2.683	10	111.3531	6.543	11	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[5]C[5]2H)(H)	110.5970	0.000	1	111.3531	6.543	11	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.2100	0.000	1	111.2100	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(H)	108.5485	2.535	4	109.9253	3.071	15	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	110.4259	1.157	11	109.9253	3.071	15	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	112.8741	3.599	10	112.8741	12.952	10	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(H)	113.0000	0.000	1	113.0000	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O(C[5]C[5]2H)(H)	112.2006	3.202	10	111.6707	7.391	27	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.5131	2.569	15	111.6707	7.391	27	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	O(C[5]C[5]2H)(H)	110.2025	0.052	2	111.6707	7.391	27	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.1140	0.000	1	111.1140	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	108.5883	2.207	3	108.5883	4.872	3	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	108.2090	0.000	1	108.2090	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.9355	2.889	16	111.9355	8.344	16	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	O(C[5]C[5]2H)(H)	107.4430	0.000	1	107.4430	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	O(C[5]C[5]2H)(H)	114.1264	2.469	13	114.1264	6.094	13	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[5]C[5]2H)(H)	106.8390	0.000	1	106.8390	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){2|H<1>}	O(C[5]C[5]2H)(H)	113.3090	0.000	1	113.3090	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	O(C[5]C[5]2H)(H)	111.0135	1.074	2	111.0135	1.154	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.2020	0.723	2	110.2020	0.522	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.8840	0.000	1	111.8840	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	111.1033	1.043	4	111.1033	1.089	4	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	113.8949	1.546	8	113.8949	2.391	8	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	108.3250	0.000	1	108.3250	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(H)	113.1560	0.000	1	113.1560	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)2(OH)(H)	C[5](C[5]C[5]HO)2(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	112.1225	1.640	2	112.1225	2.689	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	115.4570	0.000	1	115.4570	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	110.9400	0.000	1	110.9400	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	O(C[5]C[5]2H)(H)	115.1400	0.000	1	115.1400	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	112.2145	0.933	10	112.2363	0.789	11	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	112.4540	0.000	1	112.2363	0.789	11	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	114.9220	0.000	1	114.9220	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	108.4160	0.000	1	108.4160	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	115.5840	0.000	1	115.5840	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	113.3632	1.390	4	114.2397	6.123	15	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	114.5585	2.752	11	114.2397	6.123	15	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	O(C[5]C[5]2H)(H)	114.7690	0.000	1	114.7690	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	112.5598	2.533	10	112.5598	6.417	10	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	112.0260	0.010	3	111.9306	0.049	5	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	111.7875	0.357	2	111.9306	0.049	5	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	115.0050	0.000	1	115.0050	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	O(C[5]C[5]2H)(H)	115.2090	0.826	2	115.2090	0.682	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	112.7868	2.386	10	112.6775	5.781	26	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	112.7703	2.623	14	112.6775	5.781	26	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	111.4820	0.864	2	112.6775	5.781	26	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	113.0310	0.403	2	113.0310	0.162	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	113.0260	0.887	3	113.0260	0.786	3	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.7520	0.000	1	112.7565	18.054	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	O(C[5]C[5]2H)(H)	115.7610	0.000	1	112.7565	18.054	2	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	114.9070	0.000	1	114.9070	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	113.0122	1.945	16	113.0122	3.781	16	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	114.6810	0.000	1	114.6810	0.000	1	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	109.2350	1.453	21	109.2350	2.112	21	112.0592	6.709	322	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(SC)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2H)(H)	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	112.0096	6.958	381	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-3:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(SC[6]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(SC[6]O)	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,5]C[5]H)(SiC3)	113.2470	0.000	1	113.2470	0.000	1	113.0395	0.086	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	112.8320	0.000	1	112.8320	0.000	1	113.0395	0.086	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	113.8170	0.000	1	113.8170	0.000	1	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CH3)	111.5370	0.000	1	111.5370	0.000	1	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CH3)	110.4635	3.697	2	110.4635	13.671	2	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CHHO)	109.3260	0.000	1	109.3260	0.000	1	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	112.7800	0.699	2	112.7800	0.488	2	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5,5]C[5]H)(CH3)	109.7380	0.000	1	109.7380	0.000	1	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	113.5410	0.000	1	110.8540	14.440	2	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.1670	0.000	1	110.8540	14.440	2	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5,5]C[5]H)(CC3)	106.5735	0.187	2	106.5735	0.035	2	110.4800	7.650	12	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5,5]HO)2(OC)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(SiC3)	111.8220	0.000	2	111.8220	0.000	2	111.8220	0.000	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<2>,1|H<2>,3|C<3>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.8470	0.000	1	109.8470	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	107.4090	0.000	1	107.4090	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5]HH)	112.7940	0.000	1	112.7940	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	110.8700	0.000	1	110.4465	0.359	2	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	110.0230	0.000	1	110.4465	0.359	2	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.4030	0.000	1	108.4030	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.8630	0.000	1	110.8630	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[5]HH)	115.0600	0.000	1	115.0600	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>,3|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.4290	0.000	1	108.6005	0.066	4	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.3550	0.000	1	108.6005	0.066	4	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.8090	0.141	2	108.6005	0.066	4	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	107.9460	0.000	1	107.9460	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,2|C<3>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.3380	0.000	1	108.3380	0.000	1	109.7111	4.465	14	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	109.2980	0.000	1	109.2980	0.000	1	108.3050	0.942	3	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(SCOO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(SCOO)	107.3590	0.000	1	107.3590	0.000	1	108.3050	0.942	3	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(SC[6a]OO)	108.2580	0.000	1	108.2580	0.000	1	108.3050	0.942	3	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(SiC3)	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	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>}	O(C[5]C[5,5]C[5]H)(CH3)	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	108.8290	0.000	1	108.8290	0.000	1	109.6570	1.371	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	110.4850	0.000	1	110.4850	0.000	1	109.6570	1.371	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(CH3)	114.4060	0.000	1	114.4060	0.000	1	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CC[6a]HH)	108.9370	0.000	1	108.9370	0.000	1	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CC[6a]HH)	107.7930	0.000	1	107.7930	0.000	1	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	O(C[5]C[5]2H)(CC[6a]HH)	114.0875	0.760	2	114.0875	0.578	2	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	112.2380	0.000	1	112.4605	0.099	2	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CC[6a]HH)	112.6830	0.000	1	112.4605	0.099	2	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(CHHO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[5]C[5]2H)(CHHO)	111.9650	0.000	1	111.9650	0.000	1	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC3)	110.0720	0.765	2	110.0720	0.585	2	111.6341	5.485	10	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H){1|O<1>}	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	O(C[5]C[5]2H)(CC[6a]HH)	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	O(C[5]C[5]2H)(CC[6a]HH)	117.0610	0.000	1	117.0610	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CH3)	113.5420	0.000	1	113.5420	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	113.4720	0.000	1	113.4720	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)(CH3)	111.4084	3.460	16	111.4084	11.973	16	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)2(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	113.2630	0.000	1	113.2630	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CC[6a]HH)	113.1615	4.518	2	113.1615	20.410	2	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	110.5645	0.477	2	110.5645	0.228	2	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	116.7310	0.000	1	116.7310	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	115.4200	0.000	1	115.4200	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	113.0800	0.000	1	113.0800	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	113.1720	0.515	3	113.1720	0.266	3	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	107.6000	0.000	1	107.6000	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	116.5320	0.000	1	116.5320	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	113.5210	0.000	1	113.5210	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	111.6620	0.000	1	111.6620	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	113.1080	0.000	1	113.1080	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)2(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	107.3460	0.000	1	107.3460	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CH3)	115.3570	0.000	1	115.3570	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(CH3)	115.8150	0.000	1	115.8150	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CH3)	107.2750	0.000	1	107.2750	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CH3)	108.3570	0.656	2	108.3570	0.431	2	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(CH3)	115.7230	0.000	1	115.7230	0.000	1	112.2077	10.651	42	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(C[6]C[6]2O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(C[6]C[6]2O)	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:P-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(PO3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(PO3)	111.4083	0.013	3	111.7546	2.801	5	111.7546	2.801	5	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:P-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(PO3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(PO3)	112.2740	3.210	2	111.7546	2.801	5	111.7546	2.801	5	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(SCOO)	111.7620	0.000	1	111.7620	0.000	1	110.5395	2.989	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:S-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(SC[6a]OO)	109.3170	0.000	1	109.3170	0.000	1	110.5395	2.989	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	O(C[5]C[5]2H)(SiC3)	109.3990	0.000	1	109.3990	0.000	1	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(SiCCO)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(SiCCO)	109.6030	0.000	1	109.6030	0.000	1	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2H)(SiC3)	110.1620	1.585	2	110.1620	2.513	2	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(SiC[6a]2C)	112.8605	5.539	2	112.8605	30.678	2	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SiC3)	110.5660	0.000	1	110.5660	0.000	1	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SiC3)	111.0710	0.000	1	111.0710	0.000	1	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(SiC3)	108.8740	0.308	4	108.8740	0.095	4	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	O(C[5]C[5]2H)(SiC[6a]2C)	111.3295	5.683	2	111.3295	32.297	2	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	O(C[5]C[5]2H)(SiC3)	115.7960	0.000	1	115.7960	0.000	1	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:Si-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(SiC3)	114.8268	0.966	4	114.8268	0.933	4	111.5759	9.732	19	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	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>}	O(C[5]C[5]2H)(CH3)	110.5050	0.000	1	110.7915	0.164	2	110.7915	0.164	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	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>}	O(C[5]C[5]2H)(CH3)	111.0780	0.000	1	110.7915	0.164	2	110.7915	0.164	2	111.2943	8.167	123	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH){1|N<3>,4|H<1>}	O(C[5]C[5]2H)(H)	110.6975	0.834	2	110.6975	0.695	2	110.6975	0.695	2	110.9213	4.468	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	110.9213	4.468	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:H-1:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	113.6460	0.000	1	113.6460	0.000	1	113.6460	0.000	1	110.9213	4.468	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:S-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)2	O(C[5]C[5]2H)(SC[6a]OO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)2{3|C<3>,3|H<1>}	O(C[5]C[5]2H)(SC[6a]OO)	109.0133	3.099	3	109.0133	9.605	3	109.0133	9.605	3	109.0133	9.605	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:4:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	109.3445	1.717	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:2:4:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	109.3445	1.717	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H){2|C<3>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[5]C[3,5]C[5]H)(H)	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	O(C[5]C[5,5]C[5]H)(H)	110.3293	3.093	4	110.3293	9.568	4	110.3293	9.568	4	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H){1|C<3>,1|N<3>,3|H<1>,3|O<2>}	O(C[5]C[5,5]C[5]H)(H)	112.2340	2.851	2	112.2340	8.129	2	112.2340	8.129	2	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CHH)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	116.3080	0.000	1	116.3080	0.000	1	116.3080	0.000	1	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	112.4980	0.000	1	112.1910	0.188	2	112.1933	0.094	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){3|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	111.8840	0.000	1	112.1910	0.188	2	112.1933	0.094	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	112.1980	0.000	1	112.1980	0.000	1	112.1933	0.094	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(H){4|H<1>}	O(C[5]C[5]2H)(H)	108.6980	0.000	1	108.6980	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCH)(H){4|H<1>}	O(C[5]C[5]2H)(H)	114.4400	0.000	1	114.4400	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CNO)(H){4|H<1>}	O(C[5]C[5]2H)(H)	109.0260	0.456	3	109.0260	0.208	3	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	107.5170	0.307	4	108.6934	6.990	5	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)(H){4|H<1>}	O(C[5]C[5]2H)(H)	113.3990	0.000	1	108.6934	6.990	5	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	112.6940	0.000	1	112.6940	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	114.6710	1.670	2	114.6710	2.790	2	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CBrC)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2H)(H)	110.4340	0.000	1	110.4340	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2H)(H)	108.3650	0.000	1	108.3650	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(C[5]S[5]HH)(CHN)(H){2|H<1>,2|O<1>}	O(C[5]C[5]2H)(H)	106.9985	0.930	2	106.9985	0.865	2	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	111.2640	0.000	1	111.2640	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.1400	0.000	1	109.1400	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	113.7830	0.000	1	113.7830	0.000	1	110.1351	8.046	20	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){1|Br<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HO)(NHS)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	112.2890	0.000	1	112.2890	0.000	1	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCH)(H){4|H<1>}	O(C[5]C[5]2H)(H)	112.4100	0.000	1	112.4100	0.000	1	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(NCH)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2H)(H)	109.8880	2.195	5	109.8880	4.817	5	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(NCH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.5370	0.000	1	110.5370	0.000	1	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	113.8130	0.000	1	113.8130	0.000	1	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(NHH)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	109.1490	3.454	2	109.1490	11.927	2	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]S[5]CH)(NOO)(H){2|H<1>}	O(C[5]C[5]2H)(H)	111.2630	0.000	1	111.2630	0.000	1	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	106.3500	0.000	1	106.3500	0.000	1	110.3385	6.001	13	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H){1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	115.0430	0.000	2	115.0430	0.000	2	114.8240	0.144	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	114.3860	0.000	1	114.3860	0.000	1	114.8240	0.144	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H){4|H<1>}	O(C[5]C[5]2H)(H)	109.6690	0.000	1	109.6690	0.000	1	111.0877	6.354	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.5960	0.000	1	109.5960	0.000	1	111.0877	6.354	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	113.9980	0.000	1	113.9980	0.000	1	111.0877	6.354	3	110.9518	7.880	50	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(CCO)(H)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(CCO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H)	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(NCH)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(CHHO)	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H)	O(C[5]C[5,6,6]C[5]H)(CH3)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[5]C[5,6,6]C[5]H)(CH3)	111.8230	3.137	2	111.8230	9.839	2	111.8230	9.839	2	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	110.5825	0.556	2	110.5825	0.310	2	110.0330	1.061	3	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(CH3)	108.9340	0.000	1	108.9340	0.000	1	110.0330	1.061	3	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H)	O(C[5]C[5]2H)(SiSi3)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(SiSi3)	111.7220	0.498	2	111.7220	0.248	2	111.7220	0.248	2	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:S-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H)	O(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OS)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCC)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(SCOO)	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:Si-4:	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(SiC3)	112.3920	0.000	1	112.3920	0.000	1	112.3920	0.000	1	110.9112	4.018	11	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	O(C[5]C[5]2H)(H)	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	112.0777	2.135	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	112.0777	2.135	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH){4|H<1>}	O(C[5]C[5]2H)(H)	112.8140	0.000	1	112.8140	0.000	1	113.2775	0.430	2	112.0777	2.135	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	113.7410	0.000	1	113.7410	0.000	1	113.2775	0.430	2	112.0777	2.135	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	O(C[5]C[5,5]C[5]H)(CH3)	110.4827	0.575	3	110.4827	0.331	3	110.4827	0.331	3	111.1184	6.926	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CH3)	108.6070	0.000	1	108.6070	0.000	1	112.0720	24.012	2	111.1184	6.926	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(CH3)	115.5370	0.000	1	115.5370	0.000	1	112.0720	24.012	2	111.1184	6.926	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H){1|O<2>,6|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H){3|C<4>,4|O<2>}	O(C[5]C[5,5,6]C[5]H)(H)	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H){2|C<4>,2|H<1>}	O(C[5]C[5,5,6]C[5]H)(H)	108.6815	0.749	2	108.6815	0.561	2	108.6815	0.561	2	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H){1|C<3>,4|C<4>}	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]C[5,5]HO)(CC3)(H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	O(C[5]C[5,5]C[5]H)(H)	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5]C[5]H)(H)	108.3810	0.000	1	108.3810	0.000	1	111.8413	14.231	3	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H){1|H<1>,5|C<4>}	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	115.8630	0.000	1	115.8630	0.000	1	111.8413	14.231	3	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(H)	111.2800	0.000	1	111.2800	0.000	1	111.8413	14.231	3	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	107.5240	0.000	1	109.4430	2.507	4	109.4430	2.507	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.4410	0.375	2	109.4430	2.507	4	109.4430	2.507	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	111.3660	0.000	1	109.4430	2.507	4	109.4430	2.507	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H){1|C<3>,1|O<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H){3|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	115.3304	0.562	5	115.3304	0.316	5	114.1464	5.062	7	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.6740	0.000	1	111.1865	4.575	2	114.1464	5.062	7	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(H)	112.6990	0.000	1	111.1865	4.575	2	114.1464	5.062	7	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(H)	109.4652	0.610	5	109.4652	0.373	5	109.4652	0.373	5	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[5]C[5]2H)(H)	107.0510	0.000	1	107.0510	0.000	1	107.6713	3.452	3	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H){1|C<3>,1|O<2>,5|H<1>}	O(C[5]C[5]2H)(H)	106.2030	0.000	1	106.2030	0.000	1	107.6713	3.452	3	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H){1|H<1>,5|C<4>}	O(C[5]C[5]2H)(H)	109.7600	0.000	1	109.7600	0.000	1	107.6713	3.452	3	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	113.0335	1.459	2	113.0335	2.128	2	113.0335	2.128	2	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	108.3320	0.000	1	108.3320	0.000	1	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	112.8280	0.000	1	111.7767	3.857	3	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	111.2510	2.461	2	111.7767	3.857	3	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	112.2930	0.000	1	112.2930	0.000	1	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H){2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	115.5180	0.000	1	115.5180	0.000	1	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H){3|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	107.9550	0.000	1	107.9550	0.000	1	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	109.1110	0.000	1	109.1110	0.000	1	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	113.0740	0.000	1	113.0740	0.000	1	111.2903	6.889	9	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	O(C[5]C[5]2H)(H)	114.6760	0.000	1	114.6760	0.000	1	114.6695	0.000	2	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,6|H<1>}	O(C[5]C[5]2H)(H)	114.6630	0.000	1	114.6630	0.000	1	114.6695	0.000	2	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:H-1:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	115.5030	0.000	1	115.5030	0.000	1	115.5030	0.000	1	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	114.7460	0.000	1	114.7460	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.0160	0.000	1	114.0160	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	110.0970	0.000	1	110.0970	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	113.4510	0.000	1	113.4510	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	112.9540	0.000	1	112.9540	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	107.6190	0.000	1	107.6190	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H){4|H<1>}	O(C[5]C[5]2H)(H)	114.3870	0.000	1	114.3870	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)(H)	106.5340	0.000	1	106.5340	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(H)	109.0540	0.000	1	109.0540	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.9400	1.198	3	110.9400	1.435	3	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	108.8250	0.000	1	108.8250	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	110.2407	1.700	3	110.2407	2.890	3	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	O(C[5]C[5]2H)(H)	113.3395	2.580	2	113.3395	6.658	2	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.5220	3.879	2	111.9227	13.410	3	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	O(C[5]C[5]2H)(H)	114.7240	0.000	1	111.9227	13.410	3	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2H)(H)	108.1900	0.000	1	108.1900	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2H)(H)	108.2340	0.000	1	108.2340	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.1400	0.000	1	110.1400	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	113.3130	2.431	2	113.3130	5.910	2	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	114.4750	0.000	1	114.4750	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	113.5050	0.000	1	113.5050	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.2970	0.000	1	111.2970	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2H)(H)	111.8610	0.000	1	111.8610	0.000	1	111.4000	6.544	30	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[5]C[5]2H)(H)	114.5280	0.000	1	114.5280	0.000	1	111.2995	11.764	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,7|H<1>}	O(C[5]C[5]2H)(H)	112.6410	0.000	1	112.6410	0.000	1	111.2995	11.764	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	109.0145	3.553	2	109.0145	12.625	2	111.2995	11.764	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	O(C[5]C[5]2H)(H)	109.7960	0.820	4	109.7960	0.672	4	109.6286	2.200	7	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	O(C[5]C[5]2H)(H)	110.3020	0.000	1	110.3020	0.000	1	109.6286	2.200	7	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	108.9570	3.117	2	108.9570	9.715	2	109.6286	2.200	7	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.2430	0.000	1	109.2430	0.000	1	108.4970	2.386	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	108.5790	0.000	1	108.5790	0.000	1	108.4970	2.386	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	106.3150	0.000	1	106.3150	0.000	1	108.4970	2.386	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	109.8510	0.000	1	109.8510	0.000	1	108.4970	2.386	4	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[5]C[5]2H)(H)	113.7880	0.000	1	113.7880	0.000	1	113.7880	0.000	1	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	111.1244	7.265	89	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H)	O(C[5]C[3,5,6]C[5]H)(CH3)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H){1|C<3>,2|C<4>}	O(C[5]C[3,5,6]C[5]H)(CH3)	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,5]C[5]H)(SiC3)	114.7180	0.099	2	114.7180	0.010	2	114.7180	0.010	2	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	110.5730	1.054	2	110.5730	1.110	2	111.2555	1.358	6	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.8410	0.000	1	111.0020	1.408	2	111.2555	1.358	6	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HO)2(CH3)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	110.1630	0.000	1	111.0020	1.408	2	111.2555	1.358	6	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	113.0460	0.000	1	113.0460	0.000	1	111.2555	1.358	6	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.3370	0.000	1	111.3370	0.000	1	111.2555	1.358	6	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	111.1890	0.000	1	110.3173	1.130	3	110.3173	1.130	3	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]H)(SiC3)	109.8815	1.059	2	110.3173	1.130	3	110.3173	1.130	3	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2H)(CH3)	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	O(C[5]C[5]2H)(SiC3)	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2H)(SiC3)	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:P-4:	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F)	O(C[5]C[5]2H)(PNOO)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(PNOO)	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2H)(CH3)	110.2010	0.000	1	110.2010	0.000	1	108.9923	1.822	3	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2H)(CC[6a]HH)	107.5360	0.000	1	108.3880	1.452	2	108.9923	1.822	3	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	109.2400	0.000	1	108.3880	1.452	2	108.9923	1.822	3	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2H)(SiC3)	107.1130	0.000	1	107.1130	0.000	1	109.0649	2.016	7	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(SiC3)	110.0160	0.000	1	110.0160	0.000	1	109.0649	2.016	7	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)(SiCCO)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(SiCCO)	110.6040	0.000	1	110.6040	0.000	1	109.0649	2.016	7	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(SiSi3)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(SiSi3)	108.9160	0.348	2	108.4080	0.835	3	109.0649	2.016	7	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2H)(SiSi3)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(SiSi3)	107.3920	0.000	1	108.4080	0.835	3	109.0649	2.016	7	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)2(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	O(C[5]C[5]2H)(SiSi3)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2H)(SiSi3)	110.4970	0.000	1	110.4970	0.000	1	109.0649	2.016	7	110.2671	4.780	27	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H){1|O<2>,6|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){1|H<1>,3|C<4>,3|O<2>}	O(C[5]C[5,5,6]C[5]H)(H)	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH)	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	O(C[5]C[5,5]C[5]H)(H)	113.6860	0.000	1	113.6860	0.000	1	113.6860	0.000	1	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	O(C[5]C[5,6]C[5]H)(H)	110.2460	0.000	1	110.2460	0.000	1	110.2460	0.000	1	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H)	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H){1|S<4>,3|C<4>}	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH){2|C<4>,4|H<1>}	O(C[5]C[5]2H)(H)	112.9300	0.000	1	112.9300	0.000	1	112.9300	0.000	1	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	O(C[5]C[5]2H)(H)	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	112.8120	0.000	1	112.8120	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	112.2490	0.000	1	112.2490	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2H)(H)	112.9460	0.000	1	112.9460	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	112.0080	0.000	1	112.0080	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){2|C<4>}	O(C[5]C[5]2H)(H)	112.6690	0.000	1	112.6690	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	112.5357	1.293	3	112.5357	1.672	3	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)(H)	104.9190	0.000	1	104.9190	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH){1|H<1>,1|N<3>}	O(C[5]C[5]2H)(H)	111.4500	0.000	1	111.4500	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.5855	0.190	2	111.5855	0.036	2	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)(H)	111.8840	0.000	1	111.8840	0.000	1	111.6704	4.641	13	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	111.6750	4.449	20	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:Si-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	O(C[5]C[5,5]C[5]H)(SiC3)	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	112.5580	14.602	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	O(C[5]C[5]2H)(CC[6a]HH)	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	112.5580	14.602	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	108.7428	9.046	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO){4|H<1>}	O(C[5]C[5]2H)(H)	107.2527	0.496	3	107.2527	0.246	3	107.2527	0.246	3	108.7428	9.046	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	O(C[5]C[5,6,6]C[5]H)(H)	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]HO)2(CH3)2	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)2{1|Cr<9>,2|C<4>}	O(C[5]C[5,6]C[5]H)(H)	116.8810	0.000	1	116.8810	0.000	1	115.0090	7.009	2	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3)	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)(H)	113.1370	0.000	1	113.1370	0.000	1	115.0090	7.009	2	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	112.1860	0.477	2	112.1860	0.227	2	113.0127	2.164	3	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	114.6660	0.000	1	114.6660	0.000	1	113.0127	2.164	3	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,5|H<1>}	O(C[5]C[5]2H)(H)	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){4|H<1>}	O(C[5]C[5]2H)(H)	115.1160	0.000	1	115.1160	0.000	1	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3){1|O<2>,3|H<1>}	O(C[5]C[5]2H)(H)	114.7230	0.000	1	114.7230	0.000	1	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	114.0058	0.758	5	112.8471	2.354	9	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(H)	111.3988	0.690	4	112.8471	2.354	9	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	114.0440	0.000	1	114.0440	0.000	1	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3){4|H<1>}	O(C[5]C[5]2H)(H)	109.3930	2.933	2	109.3930	8.603	2	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	113.5350	0.000	1	112.9392	9.763	5	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	114.5180	1.180	3	112.9392	9.763	5	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)(H)	107.6070	0.000	1	112.9392	9.763	5	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2H)(H)	115.0440	0.000	1	115.0440	0.000	1	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	110.7570	0.000	1	110.7570	0.000	1	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(H)	110.9690	0.000	1	110.9690	0.000	1	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3){1|C<4>,1|H<1>}	O(C[5]C[5]2H)(H)	113.5200	0.000	1	113.5200	0.000	1	112.7513	5.157	23	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3)	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3){1|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5]2H)(H)	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	112.9070	4.849	32	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:Si-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OSi)(H)	C[5](C[5]C[5,6]HO)2(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)2(CH3)2{1|Cr<9>,2|C<4>}	O(C[5]C[5,6]C[5]H)(SiC3)	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3)	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	O(C[5]C[5]2H)(CC3)	110.8440	0.000	2	110.8440	0.000	2	110.0377	1.951	3	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HO)2(CCHH)2	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)2(CCHH)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(CCCH)	108.4250	0.000	1	108.4250	0.000	1	110.0377	1.951	3	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5]HO)2(CCHH)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)2(CCHH)2{1|C<4>,3|H<1>}	O(C[5]C[5]2H)(SiC3)	110.9270	0.000	1	110.9270	0.000	1	111.2347	0.102	3	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	O(C[5]C[5]2H)(SiC3)	111.5640	0.000	1	111.3885	0.062	2	111.2347	0.102	3	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3)	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	O(C[5]C[5]2H)(SiC3)	111.2130	0.000	1	111.3885	0.062	2	111.2347	0.102	3	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[6]-4:C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	110.3990	0.339	2	110.3990	0.115	2	110.3990	0.115	2	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:S[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	O(C[5]C[5]S[5]H)(CH3)	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>,2|O<1>}	O(C[5]C[5]S[5]H)(CH3)	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	111.1049	2.086	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:1:	5:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|C<5>,2|C<3>,5|B<6>,7|H<1>}	O(C[5]C[5]2H)(H)	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2{1|H<1>,2|C<4>}	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]O)(CH3)	110.5050	4.465	2	110.5050	19.933	2	110.5050	19.933	2	110.5050	19.933	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[5]C[5]2C)(H)	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H)	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5]C[5]O)(CCHH)	115.1220	0.000	1	115.1220	0.000	1	110.6615	39.792	2	110.0313	22.293	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H)	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,5]C[5]O)(CH3)	106.2010	0.000	1	106.2010	0.000	1	110.6615	39.792	2	110.0313	22.293	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H)	O(C[5]C[5]2O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2O)(CCHH)	116.1730	0.000	1	116.1730	0.000	1	110.3020	68.937	2	110.0313	22.293	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H)	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2O)(CH3)	104.4310	0.000	1	104.4310	0.000	1	110.3020	68.937	2	110.0313	22.293	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H)	O(C[5]C[5]2O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2O)(CCHH)	108.8380	0.000	1	108.8380	0.000	1	109.1305	0.171	2	110.0313	22.293	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H)	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	C[5](C[5]C[5]OO)(C[5]C[5]H)(SC[6a]OO)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2O)(CH3)	109.4230	0.000	1	109.4230	0.000	1	109.1305	0.171	2	110.0313	22.293	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	111.1225	3.004	2	110.3637	4.922	56	110.3637	4.922	56	109.6553	6.660	114	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	110.3356	2.217	54	110.3637	4.922	56	110.3637	4.922	56	109.6553	6.660	114	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)2(CC)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CC)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	O(C[5]C[5]2C)(H)	108.7384	2.485	55	108.7384	6.175	55	108.7384	6.175	55	109.6553	6.660	114	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2	O(C[5]C[5]2O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2{1|O<2>,4|C<4>,5|H<1>}	O(C[5]C[5]2O)(H)	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	109.6553	6.660	114	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2	O(C[5]C[5]2O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2O)(H)	116.6260	0.000	1	116.6260	0.000	1	116.6260	0.000	1	109.6553	6.660	114	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH){4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]2O[5])(H)	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	109.6553	6.660	114	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:2:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO)	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2{2|H<1>}	O(C[5]C[5]O[5]C)(OH)	103.4200	0.000	1	103.4200	0.000	1	103.6735	0.129	2	107.6823	21.506	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:2:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO){2|C<4>}	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	O(C[5]C[5]O[5]C)(OH)	103.9270	0.000	1	103.9270	0.000	1	103.6735	0.129	2	107.6823	21.506	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:O-2:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2	O(C[5]C[5]2O)(OC)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2{1|O<2>,4|C<4>,5|H<1>}	O(C[5]C[5]2O)(OC)	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	107.6823	21.506	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2	O(C[5]C[5]2O)(OC)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2O)(OC)	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	107.6823	21.506	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2	O(C[5]C[3]C[5]O[5])(CCHH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC){3|C<4>,3|H<1>}	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[3]C[5]O[5])(CCHH)	106.3940	0.000	1	106.3940	0.000	1	106.3940	0.000	1	110.5888	19.062	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,5,6,6]-4:C[5]-4:O-2:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2	O(C[5]C[5,5,6,6]C[5]O)(CH3)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5,5,6,6]C[5]O)(CH3)	111.3450	5.590	2	111.3450	31.252	2	111.3450	31.252	2	110.5888	19.062	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(CH3)	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	110.5888	19.062	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:2:1:	4:1:	C[3,5]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H)	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH){1|N<3>,4|H<1>}	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[5]C[3,5]C[5]C)(H)	110.9495	1.592	2	110.9495	2.534	2	110.9495	2.534	2	109.4913	5.703	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2C)(H)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.4913	5.703	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H)	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	O(C[5]C[5]2O[5])(H)	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	109.4913	5.703	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(CH3)	104.8130	0.000	1	104.8130	0.000	1	104.8130	0.000	1	104.8130	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]O[5]O)(C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|O<2>,7|C<4>}	O(C[5]C[5,6]C[5]O[5])(H)	102.7970	0.000	1	102.7970	0.000	1	102.7970	0.000	1	102.7970	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5,5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-4:C-3:Cl-1:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)(CCO)(Cl)	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2{1|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)(CCO)(Cl){2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]O)(CCHH)	109.6575	2.384	2	109.6575	5.682	2	109.6575	5.682	2	109.6575	5.682	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-2:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	109.2357	5.297	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H)	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2O[5])(H)	107.9850	0.252	2	107.9850	0.063	2	107.9850	0.063	2	109.2357	5.297	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){2|C<3>,4|C<4>,4|H<1>}	O(C[5]C[5]2O[5])(H)	111.1055	0.063	2	111.1055	0.004	2	109.3470	9.279	3	109.2357	5.297	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[5]C[5]2O[5])(H)	105.8300	0.000	1	105.8300	0.000	1	109.3470	9.279	3	109.2357	5.297	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:2:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH)	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[5]C[5]2O[5])(H)	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	3:3:4:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,4|C<3>,4|H<1>}	O(C[5]C[5]2C)(CC[6a]HH)	115.8700	0.000	2	115.8700	0.000	2	115.8700	0.000	2	115.8700	0.000	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	O(C[5]C[6a]C[5]2)(H)	108.8395	2.010	2	108.8395	4.041	2	108.8395	4.041	2	108.8395	4.041	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	3:4:2:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H)	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi){1|C<3>,1|N<2>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H){1|N<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2C)(SiC3)	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH){1|N<2>,1|O<2>,2|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H){1|N<2>,2|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	113.6000	0.000	1	113.6000	0.000	1	113.6000	0.000	1	113.8050	0.084	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	3:4:3:1:	4:1:	C[5]-4:N[5]-4:C-3:O-2:	C[5]-3:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CC[6a]O)(H)	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CC[6a]O)(H){2|C<3>,2|C<4>}	O(C[5]C[5]N[5]C)(H)	114.0100	0.000	1	114.0100	0.000	1	114.0100	0.000	1	113.8050	0.084	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	3:4:4:3:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO){3|H<1>,4|C<3>}	O(C[5]C[6a]C[5]2)(H)	109.1730	4.165	2	109.1730	17.346	2	109.1730	17.346	2	109.1730	17.346	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	O(C[5]C[5,5]C[5]C)(H)	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	108.7788	5.842	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH){1|O<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	O(C[5]C[5]2C)(H)	108.1767	1.179	3	108.1767	1.390	3	109.3003	5.976	4	108.7788	5.842	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	112.6710	0.000	1	112.6710	0.000	1	109.3003	5.976	4	108.7788	5.842	5	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CH3)	113.8700	0.000	1	113.8700	0.000	1	113.8685	0.000	2	113.8685	0.000	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(CH3)	113.8670	0.000	1	113.8670	0.000	1	113.8685	0.000	2	113.8685	0.000	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:3:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH){1|O<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	109.6243	1.340	4	109.6243	1.796	4	109.6243	1.796	4	109.6243	1.796	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:2:4:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){2|H<1>,2|O<2>}	O(C[5]C[5,6]C[5]C)(H)	108.7715	0.344	2	108.7715	0.119	2	108.7715	0.119	2	108.7715	0.119	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH){1|O<1>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2C)(H)	108.6713	3.083	4	108.6713	9.508	4	109.0198	7.738	5	109.5660	7.981	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH){1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]2C)(H)	110.4140	0.000	1	110.4140	0.000	1	109.0198	7.738	5	109.5660	7.981	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:1:1:	4:1:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2	O(C[5]C[5]2C[6])(H)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2{1|Si<4>,1|O<2>,3|C<4>}	O(C[5]C[5]2C[6])(H)	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	109.5660	7.981	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC){1|O<1>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	O(C[5]C[5]2C)(CC[6a]HH)	106.7200	0.000	2	106.7200	0.000	2	106.7200	0.000	2	107.7910	3.441	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi)	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi){1|C<3>,1|N<2>,1|S<2>}	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2{1|C<3>,1|H<1>}	O(C[5]C[5]2C)(SiC3)	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	107.7910	3.441	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:3:2:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH){1|O<1>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH){2|H<1>}	O(C[5]C[5]2C)(H)	112.4700	3.343	3	112.4700	11.174	3	112.4700	11.174	3	112.4700	11.174	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<3>,1|S<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.5260	0.000	1	110.6240	0.019	2	109.7625	1.720	4	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<4>,1|S<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.7220	0.000	1	110.6240	0.019	2	109.7625	1.720	4	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2{1|S<4>,2|H<1>,3|C<3>}	O(C[5]C[5,5]C[5]C)(H)	109.9430	0.000	1	109.9430	0.000	1	109.7625	1.720	4	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	107.8590	0.000	1	107.8590	0.000	1	109.7625	1.720	4	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	110.8398	0.698	5	110.8570	0.392	6	110.8570	0.392	6	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|O<1>,8|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	110.9430	0.000	1	110.8570	0.392	6	110.8570	0.392	6	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	101.6150	0.000	1	102.8865	6.544	4	102.8865	6.544	4	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(Br)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	103.3103	2.956	3	102.8865	6.544	4	102.8865	6.544	4	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	109.1840	0.000	1	109.1840	0.000	1	111.2255	1.466	16	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	111.6690	0.000	1	111.6690	0.000	1	111.2255	1.466	16	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	111.7027	0.718	3	111.4343	1.694	11	111.2255	1.466	16	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	110.1360	0.000	1	111.4343	1.694	11	111.2255	1.466	16	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	111.5047	1.526	7	111.4343	1.694	11	111.2255	1.466	16	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.9927	0.145	3	110.9927	0.021	3	111.2255	1.466	16	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2{2|H<1>,5|C<4>}	O(C[5]C[5]2C)(H)	112.9210	0.000	1	112.9210	0.000	1	112.9210	0.000	1	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	108.6170	0.000	1	108.6170	0.000	1	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	111.2350	0.000	1	111.2350	0.000	1	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	110.6725	2.188	4	110.6725	4.786	4	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	109.5900	0.000	1	109.5900	0.000	1	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5]2C)(H)	109.3875	0.200	2	109.3875	0.040	2	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)2(CC[6a]N)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CC[6a]N)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	O(C[5]C[5]2C)(H)	108.8420	0.926	2	108.8420	0.858	2	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)2(CCuC)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CCuC)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	O(C[5]C[5]2C)(H)	109.9280	3.177	11	109.9280	10.091	11	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)2(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	O(C[5]C[5]2C)(H)	108.9987	1.992	6	108.9987	3.967	6	109.7068	5.500	28	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]3)(H)	110.4780	0.000	1	110.7992	7.954	6	110.7992	7.954	6	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){4|C<4>,4|H<1>}	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	O(C[5]C[5]3)(H)	110.8634	3.148	5	110.7992	7.954	6	110.7992	7.954	6	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2{2|C<4>,3|C<3>,4|H<1>}	O(C[5]C[6a]C[5]2)(H)	103.7480	0.000	1	103.7480	0.000	1	103.7480	0.000	1	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.9980	0.000	1	110.9980	0.000	1	109.1802	3.417	13	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|F<1>,3|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.0410	0.000	1	110.0410	0.000	1	109.1802	3.417	13	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	108.9367	1.905	11	108.9367	3.631	11	109.1802	3.417	13	109.7208	7.250	79	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:2:	C[3]-4:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO)	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2	O(C[5]C[3]C[5]N[5])(OC)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO){1|O<1>,4|H<1>}	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5]C[3]C[5]N[5])(OC)	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	O(C[5]C[5]2C)(SiC3)	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	O(C[5]C[3x6]C[5]2)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	O(C[5]C[3x6]C[5]2)(H)	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	110.5429	7.177	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	110.5429	7.177	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	O(C[5]C[5,5]C[6a]C[5])(H)	111.2870	0.933	3	111.2870	0.870	3	111.2870	0.870	3	110.5429	7.177	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	112.0715	0.483	2	112.0715	0.233	2	112.0715	0.233	2	110.5429	7.177	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	111.0930	0.000	1	111.0930	0.000	1	107.7685	22.105	2	110.5429	7.177	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){2|H<1>}	O(C[5]C[5]2C)(H)	104.4440	0.000	1	104.4440	0.000	1	107.7685	22.105	2	110.5429	7.177	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH)	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	O(C[5]C[5]3)(H)	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.5429	7.177	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	O(C[5]C[5]2C)(CH3)	104.2010	0.000	1	104.2010	0.000	1	106.1220	7.380	2	106.1220	7.380	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	O(C[5]C[5]2C)(CH3)	108.0430	0.000	1	108.0430	0.000	1	106.1220	7.380	2	106.1220	7.380	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]CO)(CC[5a]O)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	109.2937	3.087	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	107.6560	0.000	1	107.6560	0.000	1	109.4057	3.599	6	109.2937	3.087	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCC)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	110.1350	0.429	2	110.1350	0.184	2	109.4057	3.599	6	109.2937	3.087	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]O)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	110.6940	0.000	1	110.6940	0.000	1	109.4057	3.599	6	109.2937	3.087	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	108.9070	3.396	2	108.9070	11.530	2	109.4057	3.599	6	109.2937	3.087	7	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:3:3:	4:4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(COO)2	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(COO)2{1|O<2>,3|H<1>}	O(C[5]C[5]2C)(SiC3)	102.5520	0.000	1	102.5520	0.000	1	102.5520	0.000	1	102.5520	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH)	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H)	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH){4|C<4>}	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[3]C[5]2)(H)	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	108.9565	0.694	2	110.5884	4.211	5	110.5884	4.211	5	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	111.6763	1.934	3	110.5884	4.211	5	110.5884	4.211	5	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	105.8960	0.000	1	105.8960	0.000	1	108.8325	3.648	10	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	106.3010	0.000	1	106.3010	0.000	1	108.8325	3.648	10	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	109.1570	0.000	1	109.1570	0.000	1	108.8325	3.648	10	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	109.7520	0.000	1	109.4914	0.376	5	108.8325	3.648	10	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	109.4263	0.688	4	109.4914	0.376	5	108.8325	3.648	10	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	109.7570	3.509	2	109.7570	12.311	2	108.8325	3.648	10	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	O(C[5]C[5]3)(H)	111.3870	0.000	1	109.7023	6.021	6	109.7023	6.021	6	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	O(C[5]C[5]3)(H)	109.3654	2.584	5	109.7023	6.021	6	109.7023	6.021	6	109.5612	4.390	22	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H)	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi){1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	O(C[5]C[5,5]C[5]C)(SiC3)	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH){1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	104.3220	0.000	1	104.3220	0.000	1	106.2450	7.396	2	107.6143	9.323	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	108.1680	0.000	1	108.1680	0.000	1	106.2450	7.396	2	107.6143	9.323	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC)	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[5]C[6a]C[5]2)(H)	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	107.6143	9.323	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2{3|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	109.5223	1.534	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2{1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	109.5223	1.534	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3)	O(C[5]C[5]3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5]C[5]3)(H)	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	109.5223	1.534	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:3:4:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO){1|O<2>,4|C<3>,4|H<1>}	O(C[5]C[5]2C)(H)	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	O(C[5]C[3,5]C[5]C)(H)	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,4|C<3>}	O(C[5]C[5]2C)(H)	112.6530	0.000	1	112.6530	0.000	1	110.3233	4.073	3	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	109.2080	0.000	1	109.2080	0.000	1	110.3233	4.073	3	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	109.1090	0.000	1	109.1090	0.000	1	110.3233	4.073	3	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[5]C[5]2C)(H)	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	O(C[5]C[5]2C)(H)	111.1770	0.000	1	111.1770	0.000	1	108.5577	12.189	3	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{3|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	104.5940	0.000	1	104.5940	0.000	1	108.5577	12.189	3	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]C[5]2C)(H)	109.9020	0.000	1	109.9020	0.000	1	108.5577	12.189	3	110.0731	7.088	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	106.7300	0.000	1	106.7300	0.000	1	104.6690	8.495	2	105.2626	4.601	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	102.6080	0.000	1	102.6080	0.000	1	104.6690	8.495	2	105.2626	4.601	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	O(C[5]C[5]2C)(H)	107.7265	0.203	2	107.7265	0.041	2	107.7265	0.041	2	105.2626	4.601	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	103.6827	1.081	3	103.6827	1.168	3	103.6827	1.168	3	105.2626	4.601	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H)	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	105.2626	4.601	8	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO){1|O<2>,2|C<4>,3|C<3>}	O(C[5]C[5]2C)(H)	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH){1|H<1>,4|C<4>}	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]C)(H)	110.4960	0.000	1	110.4960	0.000	1	111.0125	0.534	2	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	111.5290	0.000	1	111.5290	0.000	1	111.0125	0.534	2	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.7040	0.817	2	110.7040	0.668	2	109.4875	5.562	4	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.5180	0.000	1	110.5180	0.000	1	109.4875	5.562	4	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	O(C[5]C[5,6]C[5]C)(H)	106.0240	0.000	1	106.0240	0.000	1	109.4875	5.562	4	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2C)(H)	110.1780	0.000	1	110.1780	0.000	1	109.5285	0.844	2	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|O<2>}	O(C[5]C[5]2C)(H)	108.8790	0.000	1	108.8790	0.000	1	109.5285	0.844	2	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]S[5]HH)2(CCHH)(OH)	C[5](C[5]C[5]CO)(S[5]S[5])(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]S[5]HH)2(CCHH)(OH)	C[5](C[5]C[5]CO)(S[5]S[5])(H)2{2|H<1>}	O(C[5]C[5]2C)(H)	109.4430	0.206	2	109.4430	0.043	2	109.4430	0.043	2	109.7918	2.426	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:1:1:	4:2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O(C[5]C[5]2C)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO){1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(OH)	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:2:1:	4:1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH)	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH){4|H<1>,5|C<4>}	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,4|H<1>,5|C<4>}	O(C[5]C[5]3)(H)	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	106.8135	3.928	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:2:1:	4:1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	O(C[5]C[5]2C[6])(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	O(C[5]C[5]2C[6])(H)	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	106.8135	3.928	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH){1|H<1>,1|N<3>}	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	105.7270	0.000	1	105.7270	0.000	1	105.5355	0.073	2	105.5355	0.073	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2C)(H)	105.3440	0.000	1	105.3440	0.000	1	105.5355	0.073	2	105.5355	0.073	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH)	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	O(C[5]C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O(C[5]C[5,5]C[5]2)(H)	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	109.4845	4.902	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	O(C[5]C[5]2C)(H)	109.2930	0.000	1	109.2930	0.000	1	108.5453	2.061	3	109.4845	4.902	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){2|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	109.4530	0.000	1	109.4530	0.000	1	108.5453	2.061	3	109.4845	4.902	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5]2C)(H)	106.8900	0.000	1	106.8900	0.000	1	108.5453	2.061	3	109.4845	4.902	4	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH){1|O<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:2:4:4:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC){1|H<1>,1|N<3>}	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	O(C[5]C[5]2C)(CC[6a]HH)	103.7400	1.109	2	103.7400	1.229	2	103.7400	1.229	2	103.7400	1.229	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	108.5810	0.597	2	108.5810	0.356	2	108.5493	0.181	3	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	108.4860	0.000	1	108.4860	0.000	1	108.5493	0.181	3	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.7090	3.592	3	106.7090	12.899	3	106.7090	12.899	3	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	110.0360	0.000	1	110.0360	0.000	1	106.5505	13.519	6	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	O(C[5]C[5]2C)(H)	103.8240	0.000	1	103.8240	0.000	1	106.5505	13.519	6	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	111.2330	0.000	1	111.2330	0.000	1	106.5505	13.519	6	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	102.6620	0.000	1	102.6620	0.000	1	106.5505	13.519	6	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	107.9830	0.000	1	107.9830	0.000	1	106.5505	13.519	6	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH){1|O<1>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2{2|C<4>}	O(C[5]C[5]2C)(H)	103.5650	0.000	1	103.5650	0.000	1	106.5505	13.519	6	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	106.5050	0.000	1	106.5050	0.000	1	108.1630	5.498	2	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|S<4>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	109.8210	0.000	1	109.8210	0.000	1	108.1630	5.498	2	107.2431	8.446	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	110.4580	0.434	2	110.4580	0.188	2	108.6811	1.746	10	108.6811	1.746	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	108.4655	1.244	2	108.4655	1.547	2	108.6811	1.746	10	108.6811	1.746	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	109.4980	0.000	1	109.4980	0.000	1	108.6811	1.746	10	108.6811	1.746	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(OS)(H){1|C<3>,1|H<1>}	O(C[5]C[5]2C)(H)	108.3160	0.000	1	108.3160	0.000	1	108.6811	1.746	10	108.6811	1.746	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	108.9110	0.000	1	107.7875	1.193	4	108.6811	1.746	10	108.6811	1.746	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	107.4130	0.974	3	107.7875	1.193	4	108.6811	1.746	10	108.6811	1.746	10	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:2:4:	4:1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH)	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	O(C[5]C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	O(C[5]C[5,5]C[5]2)(H)	104.3730	0.000	1	104.3730	0.000	1	104.3730	0.000	1	104.3730	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:3:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)2{1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	103.4260	0.000	1	103.4260	0.000	1	103.3870	0.003	2	103.3870	0.003	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:3:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]H)(COO)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	103.3480	0.000	1	103.3480	0.000	1	103.3870	0.003	2	103.3870	0.003	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:3:3:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC)	C[5](C[5]C[5]CO)(N[5]C[5]S)(COO)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CO)(N[5]C[5]S)(COO)2{1|C<3>,3|H<1>}	O(C[5]C[5]2C)(CH3)	102.4880	0.000	1	102.4880	0.000	1	102.4880	0.000	1	102.4880	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	110.0305	2.651	2	110.0305	7.028	2	110.1106	4.372	5	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	109.1220	0.000	1	109.1220	0.000	1	110.1106	4.372	5	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	112.7840	0.000	1	112.7840	0.000	1	110.1106	4.372	5	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	O(C[5]C[5,5]C[5]C)(H)	108.5860	0.000	1	108.5860	0.000	1	110.1106	4.372	5	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H){3|H<1>}	O(C[5]C[5]2C)(H)	107.8940	0.000	1	107.8940	0.000	1	108.4624	9.108	7	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	107.1770	0.000	1	107.1770	0.000	1	108.4624	9.108	7	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2C)(H)	110.1360	0.000	1	110.1360	0.000	1	108.4624	9.108	7	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	111.9015	0.018	2	111.9015	0.000	2	108.4624	9.108	7	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	106.4890	0.000	1	106.4890	0.000	1	108.4624	9.108	7	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	103.7380	0.000	1	103.7380	0.000	1	108.4624	9.108	7	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]3)(H)	109.7830	0.061	2	109.7830	0.004	2	109.7830	0.004	2	109.2397	6.212	14	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	110.1520	0.000	1	110.1520	0.000	1	110.1520	0.000	1	110.1520	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2C)(H)	113.8700	0.433	2	113.8700	0.187	2	113.8700	0.187	2	108.7580	18.191	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	109.2260	0.000	1	109.2260	0.000	1	106.2020	4.124	4	108.7580	18.191	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2C)(H)	105.1190	0.380	2	105.1190	0.145	2	106.2020	4.124	4	108.7580	18.191	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]H)(CCHH)(CNO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]CO)(N[5]C[5]H)(CCHH)(CNO){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	105.3440	0.000	1	105.3440	0.000	1	106.2020	4.124	4	108.7580	18.191	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	O(C[5]C[5]2C)(H)	103.9000	0.000	1	103.9000	0.000	1	106.9645	18.782	2	108.0840	13.151	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	110.0290	0.000	1	110.0290	0.000	1	106.9645	18.782	2	108.0840	13.151	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2{1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	108.0840	13.151	3	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:3:4:4:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	O(C[5]C[5]2C)(CHHO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,3|H<1>}	O(C[5]C[5]2C)(CHHO)	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[3,5,6]C[5]C)(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5,6]C[5]C)(H)	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]C)(H)	113.8090	0.603	4	113.8090	0.363	4	113.8090	0.363	4	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2{1|H<1>,2|C<4>}	O(C[5]C[3,5]C[5]C)(H)	109.7873	2.282	4	109.7873	5.209	4	110.2920	5.792	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]C)(H)	112.6230	0.283	2	112.6230	0.080	2	110.2920	5.792	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[3,5]C[5]C)(H)	111.1450	0.000	1	111.1450	0.000	1	110.2920	5.792	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|H<1>}	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]C)(H)	106.7960	0.000	1	106.7960	0.000	1	110.2920	5.792	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	O(C[5]C[3]C[5]2)(H)	108.6250	0.342	3	108.6250	0.117	3	108.6250	0.117	3	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2	O(C[5]C[3x5,6]C[5]C)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[3x5,6]C[5]C)(H)	105.8250	0.198	2	105.8250	0.039	2	105.8250	0.039	2	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2{2|C<4>,2|H<1>}	O(C[5]C[4,5]C[5]C)(H)	104.4310	0.000	1	104.4310	0.000	1	104.4310	0.000	1	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH)	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2{2|C<3>,3|C<4>}	O(C[5]C[5,5,6]C[5]C)(H)	113.2420	0.000	1	113.2420	0.000	1	113.2420	0.000	1	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,5,6]C[5]C)(H)	113.3230	0.000	2	113.0570	0.094	4	113.0570	0.094	4	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5,6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]C[5,5,6]C[5]C)(H)	112.7910	0.000	2	113.0570	0.094	4	113.0570	0.094	4	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|O<2>}	O(C[5]C[5,5,6]C[5]C)(H)	104.9100	0.000	1	104.9100	0.000	1	104.9100	0.000	1	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	O(C[5]C[5,5]C[5]C)(H)	106.3830	0.000	1	106.3830	0.000	1	110.3511	4.354	7	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	111.1238	1.358	5	111.1238	1.845	5	110.3511	4.354	7	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.4560	0.000	1	110.4560	0.000	1	110.3511	4.354	7	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH){2|C<4>,2|H<1>,3|O<2>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.5850	0.000	2	106.5850	0.000	2	109.3167	4.491	6	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.5980	0.000	1	110.6825	0.023	4	109.3167	4.491	6	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.7107	0.172	3	110.6825	0.023	4	109.3167	4.491	6	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[5]C[5,6]C[5]C)(H)	107.7457	2.549	3	107.7457	6.498	3	108.5564	3.161	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.2990	0.000	1	110.0875	0.089	2	108.5564	3.161	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.8760	0.000	1	110.0875	0.089	2	108.5564	3.161	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.9295	0.457	2	108.9295	0.209	2	108.5564	3.161	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.1800	0.000	1	107.1800	0.000	1	108.5564	3.161	8	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|O<2>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[5]C[5,6]C[5]C)(H)	112.9190	0.000	1	112.9190	0.000	1	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.0030	0.000	1	107.6458	3.596	11	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	105.7410	0.981	2	107.6458	3.596	11	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	104.6410	0.000	1	107.6458	3.596	11	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.0373	1.695	4	107.6458	3.596	11	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.9430	1.139	3	107.6458	3.596	11	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.4695	0.838	2	106.4695	0.702	2	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.6295	0.786	2	107.9314	4.579	7	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.0150	0.000	1	107.9314	4.579	7	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	108.3115	2.690	4	107.9314	4.579	7	107.8801	4.707	21	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]C)(H)	112.4280	0.000	1	112.4280	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.4820	0.000	1	110.4820	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	106.3350	0.000	1	106.3350	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	110.1115	0.248	2	110.1115	0.062	2	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	110.1630	0.000	1	110.1630	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	108.6750	0.000	1	108.6750	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	110.1935	1.889	43	110.1935	3.567	43	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	108.3270	0.000	1	108.3270	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.6380	0.000	1	111.7146	4.268	9	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	112.3491	0.858	8	111.7146	4.268	9	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]C)(H)	104.5290	0.000	1	104.5290	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5,6]C[5]C)(H)	109.6940	0.000	1	109.6940	0.000	1	110.2356	4.309	62	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5]2C)(H)	108.3510	0.062	4	108.3510	0.004	4	110.4408	3.975	19	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[5]C[5]2C)(H)	111.9120	1.338	2	111.9120	1.790	2	110.4408	3.975	19	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	112.2800	0.555	4	112.2800	0.308	4	110.4408	3.975	19	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	O(C[5]C[5]2C)(H)	107.1310	0.000	1	107.1310	0.000	1	110.4408	3.975	19	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)2(CH3)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)2(CH3)(OH){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2{2|C<4>,5|H<1>}	O(C[5]C[5]2C)(H)	110.6121	1.785	8	110.6121	3.187	8	110.4408	3.975	19	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]CO)(C[5]N[5]CH)(Br)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2C)(H)	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	111.1820	0.000	1	111.1820	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	109.3610	1.680	4	109.3610	2.822	4	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	106.6750	0.000	1	106.6750	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	108.7473	1.479	4	108.9470	1.840	5	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	109.7460	0.000	1	108.9470	1.840	5	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	O(C[5]C[5]2C)(H)	106.5100	0.000	1	106.5100	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	108.9290	0.000	1	108.9290	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	106.0860	1.895	2	106.9645	4.171	4	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){2|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5]2C)(H)	106.1350	0.000	1	106.9645	4.171	4	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	109.5510	0.000	1	106.9645	4.171	4	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	111.2700	0.052	2	111.2700	0.003	2	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	110.0060	0.000	1	110.0060	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	106.3530	0.000	1	106.3530	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	109.3843	1.346	4	108.4668	3.439	13	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	105.8505	0.148	2	108.4668	3.439	13	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	107.5258	1.383	4	108.4668	3.439	13	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	110.2427	0.104	3	108.4668	3.439	13	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	109.4860	0.000	1	109.4860	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	112.2760	0.000	1	112.2760	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	107.6570	0.000	1	107.6570	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2C)(H)	109.8100	0.000	1	109.8100	0.000	1	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5]CO)2(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	110.5130	0.730	3	110.5130	0.533	3	108.8553	3.640	41	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){4|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	104.4060	0.000	1	104.4060	0.000	1	104.4060	0.000	1	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	O(C[5]C[5]3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH){4|H<1>,5|C<4>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	O(C[5]C[5]3)(H)	106.3480	0.000	1	106.3480	0.000	1	107.5186	6.282	5	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	O(C[5]C[5]3)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	O(C[5]C[5]3)(H)	107.8113	2.794	4	107.8113	7.805	4	107.5186	6.282	5	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:P[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2	O(C[5]C[5]P[5]C)(H)	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]P[5]C)(H)	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-1:	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2	O(C[5]C[6,6]C[5]2)(H)	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	O(C[5]C[6,6]C[5]2)(H)	105.1340	4.636	2	105.1340	21.491	2	105.1340	21.491	2	109.5210	6.008	199	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO)	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2	O(C[5]C[5]2C)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO){1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2{2|H<1>}	O(C[5]C[5]2C)(OH)	102.0660	0.000	1	102.0660	0.000	1	102.0660	0.000	1	102.0660	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi){1|H<1>,1|N<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|N<2>,3|C<4>,3|H<1>}	O(C[5]C[5,5]C[5]C)(SiC3)	107.6350	0.000	1	107.6350	0.000	1	112.6573	18.918	3	110.3230	10.926	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]C)(SiC3)	115.1685	0.021	2	115.1685	0.000	2	112.6573	18.918	3	110.3230	10.926	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)(CH3)	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	110.3230	10.926	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(CH3)	104.8800	0.000	1	104.8800	0.000	1	104.8800	0.000	1	110.3230	10.926	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|S<4>,4|C<3>}	O(C[5]C[5]2C)(CH3)	111.0830	0.000	1	111.0830	0.000	1	110.4767	0.707	3	110.3230	10.926	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2{2|C<3>,2|C<4>}	O(C[5]C[5]2C)(CC[6a]HH)	110.1735	0.928	2	110.1735	0.862	2	110.4767	0.707	3	110.3230	10.926	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(SiC3)	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	110.3230	10.926	9	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H)	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH){2|C<4>,4|H<1>}	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H){1|S<4>,3|C<4>}	O(C[5]C[4,5]C[5]C)(H)	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){3|C<4>,4|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H){1|O<2>,6|C<4>}	O(C[5]C[5,5,6]C[5]C)(H)	105.5530	0.000	1	105.5530	0.000	1	106.9730	4.033	2	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H)	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){1|H<1>,3|C<4>,3|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H){1|O<2>,6|C<4>}	O(C[5]C[5,5,6]C[5]C)(H)	108.3930	0.000	1	108.3930	0.000	1	106.9730	4.033	2	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	112.3360	0.000	1	112.3360	0.000	1	112.2138	0.888	4	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	110.9010	0.000	1	110.9010	0.000	1	112.2138	0.888	4	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	113.1380	0.000	1	113.1380	0.000	1	112.2138	0.888	4	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]C)(H)	112.4800	0.000	1	112.4800	0.000	1	112.2138	0.888	4	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH)	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	107.1680	0.000	1	107.1680	0.000	1	107.7510	0.680	2	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	108.3340	0.000	1	108.3340	0.000	1	107.7510	0.680	2	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	104.5020	0.000	1	104.5020	0.000	1	104.5020	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	O(C[5]C[5]2C)(H)	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	104.4730	0.000	1	104.4730	0.000	1	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	105.1680	0.000	1	105.1680	0.000	1	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	103.5477	0.786	3	103.5477	0.618	3	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	107.7960	0.000	1	107.7960	0.000	1	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	O(C[5]C[5]2C)(H)	108.4290	0.000	1	108.4290	0.000	1	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H){1|H<1>,3|C<3>}	O(C[5]C[5]2C)(H)	107.7120	0.000	1	107.7120	0.000	1	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){2|C<4>}	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	109.3710	0.000	1	109.3710	0.000	1	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2C)(H)	105.8840	0.007	2	105.8840	0.000	2	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2C)(H)	108.8700	0.926	3	108.8700	0.857	3	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2C)(H)	107.5590	0.000	1	107.5590	0.000	1	106.6353	4.896	15	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	107.1930	1.681	3	107.1930	2.825	3	106.9740	2.075	4	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	106.3170	0.000	1	106.3170	0.000	1	106.9740	2.075	4	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	O(C[5]C[5]2C[6])(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]2C[6])(H)	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	107.7484	6.761	35	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:2:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	O(C[5]C[5]2C)(H)	104.1630	0.000	1	104.1630	0.000	1	104.1630	0.000	1	104.1630	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(CCO)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(CCO)(H){2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]C)(H)	105.7440	0.000	1	105.7440	0.000	1	105.7440	0.000	1	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	O(C[5]C[5,5]C[5]C)(H)	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]C)(H)	107.0210	0.000	1	105.6147	1.741	3	105.6147	1.741	3	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CCO)(H){1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)(H)	104.9115	0.718	2	105.6147	1.741	3	105.6147	1.741	3	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2C)(H)	109.9240	0.506	2	109.9240	0.256	2	109.9240	0.256	2	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[5]2C)(H)	113.5855	0.227	4	113.5855	0.051	4	113.5855	0.051	4	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	108.9973	0.657	3	108.9973	0.432	3	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	109.5452	2.362	4	109.5452	5.580	4	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	107.1513	3.090	3	107.1513	9.550	3	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	109.7620	0.996	2	109.7620	0.991	2	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCN)(H){4|H<1>}	O(C[5]C[5]2C)(H)	111.2235	0.233	2	111.2235	0.054	2	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(COO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	103.9150	0.000	1	103.9150	0.000	1	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CNO)(H){2|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	110.2750	0.000	1	110.2750	0.000	1	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	108.9680	0.000	1	108.9680	0.000	1	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	108.6570	0.000	1	108.6570	0.000	1	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|S<4>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2C)(H)	105.2760	0.000	1	105.2760	0.000	1	108.7205	5.568	19	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[5]2C)(H)	108.7510	0.000	1	110.2536	4.157	5	110.2536	4.157	5	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5]2C)(H)	110.3847	2.558	3	110.2536	4.157	5	110.2536	4.157	5	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	O(C[5]C[5]2C)(H)	111.3630	0.000	1	110.2536	4.157	5	110.2536	4.157	5	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<2>}	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<2>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	109.0380	0.000	1	105.6655	22.748	2	106.9797	16.555	3	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]C[5,5]HN)(C[5]C[5]CO)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	102.2930	0.000	1	105.6655	22.748	2	106.9797	16.555	3	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H){2|H<1>,4|C<3>}	O(C[5]C[5]2C)(H)	109.6080	0.000	1	109.6080	0.000	1	106.9797	16.555	3	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	110.8940	2.373	2	110.8940	5.631	2	110.8940	5.631	2	109.1218	8.099	41	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:1:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H)	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(SiC3)	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	110.6480	0.000	1	110.6480	0.000	1	110.4680	0.065	2	110.4680	0.065	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH){4|H<1>}	O(C[5]C[5]2C)(H)	110.2880	0.000	1	110.2880	0.000	1	110.4680	0.065	2	110.4680	0.065	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:3:2:	4:4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H)	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H){3|C<4>,4|H<1>}	O(C[5]C[3]C[5]2)(H)	105.9017	0.632	3	105.9017	0.399	3	105.9017	0.399	3	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H){2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(H)	108.4385	1.002	2	108.4385	1.004	2	108.4385	1.004	2	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5,6]C[5]C)(H)	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5,6]C[5]C)(H)	114.0375	0.415	2	114.0375	0.172	2	114.0375	0.172	2	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2C)(H)	112.9620	0.000	1	112.9620	0.000	1	112.3076	0.184	8	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H){1|H<1>,2|C<4>}	O(C[5]C[5]2C)(H)	112.2141	0.364	7	112.2141	0.133	7	112.3076	0.184	8	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H){2|H<1>,5|C<4>}	O(C[5]C[5]2C)(H)	113.1520	0.873	2	113.1520	0.761	2	112.9323	0.525	3	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[5]C[5]2C)(H)	112.4930	0.000	1	112.4930	0.000	1	112.9323	0.525	3	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5]2C)(H)	111.5883	1.613	4	111.5883	2.600	4	111.5883	2.600	4	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	109.9575	0.063	4	109.9575	0.004	4	110.0300	3.203	6	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	110.1750	3.992	2	110.1750	15.939	2	110.0300	3.203	6	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	104.9972	1.677	4	104.9972	2.812	4	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)(H)	112.8500	0.000	1	112.8500	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	O(C[5]C[5]2C)(H)	111.8330	0.000	1	111.8330	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	109.3415	2.068	2	109.3415	4.278	2	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	106.1900	0.000	1	106.1900	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	106.3450	0.000	1	106.3450	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	110.2750	0.000	1	110.2750	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){1|O<1>,2|H<1>}	O(C[5]C[5]2C)(H)	111.4780	0.000	1	109.8963	4.164	3	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	109.1055	2.139	2	109.8963	4.164	3	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	105.9680	0.000	1	105.9680	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	108.3465	2.402	2	108.3465	5.770	2	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H){4|H<1>}	O(C[5]C[5]2C)(H)	109.2460	0.000	1	109.2460	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H){4|H<1>}	O(C[5]C[5]2C)(H)	105.7803	0.231	3	105.7803	0.053	3	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	108.3950	0.000	1	108.3950	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	O(C[5]C[5]2C)(H)	108.4980	0.000	1	108.4980	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H){3|C<3>}	O(C[5]C[5]2C)(H)	110.7000	0.000	1	110.7000	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	108.4650	0.000	1	108.4650	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCCH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	102.1610	0.000	1	102.1610	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCHH)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	107.8460	0.000	1	107.8460	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	105.1495	0.887	4	105.1495	0.787	4	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[5]C[5]2C)(H)	109.9680	0.000	1	109.9680	0.000	1	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	114.4100	0.000	1	109.3704	8.116	5	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]CH)2(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	108.1105	0.489	4	109.3704	8.116	5	107.7996	7.461	37	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,2|C<3>,5|H<1>}	O(C[5]C[5]2C)(H)	112.2890	0.000	1	112.2890	0.000	1	109.6050	14.408	2	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5]2C)(H)	106.9210	0.000	1	106.9210	0.000	1	109.6050	14.408	2	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[5]2C)(H)	105.6020	0.000	1	105.6020	0.000	1	105.6020	0.000	1	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:C[5]-4:O-2:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH)	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H)	O(C[5]C[5]3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH){4|H<1>,5|C<4>}	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H){2|O<2>,3|C<4>,6|H<1>}	O(C[5]C[5]3)(H)	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H)	O(C[5]C[6,6]C[5]2)(H)	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	O(C[5]C[6,6]C[5]2)(H)	106.8100	3.032	2	106.8100	9.193	2	106.8100	9.193	2	109.0363	9.104	72	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H)	O(C[5]C[5]2C)(CHHO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H){1|O<1>,2|C<4>}	O(C[5]C[5]2C)(CHHO)	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	109.0675	7.469	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	O(C[5]C[5]2C)(SiC3)	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	109.0675	7.469	2	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<2>}	O(C[5]C[5,5]C[5]C)(H)	105.2250	0.000	1	107.2065	7.853	2	107.2065	7.853	2	108.5330	4.591	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<3>}	O(C[5]C[5,5]C[5]C)(H)	109.1880	0.000	1	107.2065	7.853	2	107.2065	7.853	2	108.5330	4.591	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<2>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[5]C[5]2C)(H)	110.4660	0.000	1	110.6830	0.094	2	110.6830	0.094	2	108.5330	4.591	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,4|H<1>}	O(C[5]C[5]2C)(H)	110.9000	0.000	1	110.6830	0.094	2	110.6830	0.094	2	108.5330	4.591	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH){4|H<1>}	O(C[5]C[5]2C)(H)	108.3760	0.000	1	108.3760	0.000	1	107.7095	0.888	2	108.5330	4.591	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	O(C[5]C[5]2C)(H)	107.0430	0.000	1	107.0430	0.000	1	107.7095	0.888	2	108.5330	4.591	6	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]HH)(COO)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	O(C[5]C[5]2C)(H)	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH)	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	O(C[5]C[5,6]C[5]C)(H)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<3>,2|H<1>}	O(C[5]C[5]2C)(H)	111.1065	0.216	2	111.1695	0.156	10	110.8603	0.652	12	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	111.1852	0.439	8	111.1695	0.156	10	110.8603	0.652	12	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH){2|C<4>,2|H<1>,2|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<4>,2|H<1>}	O(C[5]C[5]2C)(H)	109.3140	0.180	2	109.3140	0.032	2	110.8603	0.652	12	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	106.7160	3.281	3	106.7160	10.768	3	106.8088	4.516	16	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	O(C[5]C[5]2C)(H)	106.2160	1.378	4	107.1882	2.379	12	106.8088	4.516	16	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,3|H<1>}	O(C[5]C[5]2C)(H)	107.5120	0.538	4	107.1882	2.379	12	106.8088	4.516	16	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	107.0450	1.762	3	107.1882	2.379	12	106.8088	4.516	16	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)(H)	110.2110	0.000	1	107.1882	2.379	12	106.8088	4.516	16	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH){2|H<1>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	O(C[5]C[5]2C)(H)	102.5340	0.000	1	102.5340	0.000	1	106.8088	4.516	16	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3)	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3){1|C<3>,2|C<4>,5|H<1>}	O(C[5]C[5]2C)(H)	104.8550	0.000	1	104.8550	0.000	1	104.8550	0.000	1	108.4237	6.919	30	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:Si-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO)	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi){4|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO){1|C<4>,3|H<1>}	O(C[5]C[5]2C)(SiC3)	106.2510	0.000	1	106.2510	0.000	1	106.2510	0.000	1	106.2510	0.000	1	110.6118	8.473	4170	110.9861	10.410	7647
474	474	893	0:SP3_SP3_SP3	C[5]	C[5]	O	6:4:4:2:	4:3:1:1:	4:1:	C[5x3,5x5,20x6]-6:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:H-1:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH)	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2	O(C[5]C[5x3,5x5,20x6]C[5]2)(H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH){2|C<3>,5|B<6>,5|H<1>}	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	O(C[5]C[5x3,5x5,20x6]C[5]2)(H)	108.6610	0.062	2	108.6610	0.004	2	108.6610	0.004	2	108.6610	0.004	2	110.6118	8.473	4170	110.9861	10.410	7647