490	466	542	0:SP3_SP2_SP3	C	C[3x6]	N[5]	3:4:1:1:	4:4:4:4:	3:4:3:	N[5]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5,6a]-3:C-4:C[5]-3:	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	114.6933	0.206	4	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[3x6]	N[5]	4:3:1:1:	2:2:2:4:	4:4:3:	C[3x6]-4:N[5]-3:H-1:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[5]-4:C-4:C[5]-3:	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	C[3x6](O[6,6]C[6,6])3(CN[5]HH)	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	C[3x6](O[6,6]C[6,6])3(CN[5]HH){1|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.6933	0.206	4	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[3x6]	N[5]	4:3:1:1:	4:4:4:4:	3:3:4:	C[3x6]-4:N[5]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	N[5](C[5]C[5,6a]O)2(CC[3x6]HH)	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){2|H<1>,4|C<4>}	N[5](C[5]C[5,6a]O)2(CC[3x6]HH){2|C<3>}	114.9305	0.057	2	114.9305	0.003	2	114.9305	0.003	2	114.9305	0.003	2	114.6933	0.206	4	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6,6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	115.0090	0.194	2	115.0090	0.038	2	114.0060	4.295	9	114.0060	4.295	9	113.8045	3.786	13	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6,6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	113.0712	2.908	4	113.0712	8.454	4	114.0060	4.295	9	114.0060	4.295	9	113.8045	3.786	13	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6,6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	114.5837	1.108	3	114.5837	1.228	3	114.0060	4.295	9	114.0060	4.295	9	113.8045	3.786	13	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6,6]	N[5]	4:3:1:1:	4:4:4:1:	3:4:2:	C[6,6]-4:N[5]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6a]-3:C-4:C[5]-2:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5])	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	115.6900	0.000	1	115.6900	0.000	1	115.6900	0.000	1	115.6900	0.000	1	113.8045	3.786	13	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6,6]	N[5]	4:3:1:1:	4:4:4:1:	3:4:3:	C[6,6]-4:N[5]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6a]-3:C-4:C[5]-3:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	112.0895	1.094	2	112.0895	1.197	2	112.0895	1.197	2	112.0895	1.197	2	113.8045	3.786	13	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6,6]	N[5]	4:3:3:1:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C-4:C[5]-3:C[5]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O){1|C<4>,1|N<2>,1|N<3>}	113.5360	0.000	1	113.5360	0.000	1	113.5360	0.000	1	113.5360	0.000	1	113.8045	3.786	13	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	113.9120	0.000	1	113.9120	0.000	1	113.1607	0.883	3	113.1607	0.883	3	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	112.7850	0.959	2	112.7850	0.919	2	113.1607	0.883	3	113.1607	0.883	3	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	3:3:4:4:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH){1|C<4>,2|H<1>,8|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:2:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	112.2990	0.000	1	112.2990	0.000	1	112.0350	2.683	5	112.0350	2.683	5	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:2:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	113.1070	0.000	1	113.1070	0.000	1	112.0350	2.683	5	112.0350	2.683	5	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:2:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	114.0180	0.000	1	114.0180	0.000	1	112.0350	2.683	5	112.0350	2.683	5	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:2:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	110.3755	0.274	2	110.3755	0.075	2	112.0350	2.683	5	112.0350	2.683	5	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:2:4:1:	4:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|O<2>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH){3|H<1>}	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	111.9060	1.376	2	111.9060	1.893	2	111.9060	1.893	2	112.1107	1.072	3	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H){1|C<4>,4|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	112.1107	1.072	3	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	N[5](C[5]C[5,5,6]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	113.9190	0.000	1	113.9190	0.000	1	113.1912	0.591	8	113.1912	0.591	8	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5]C[5,5]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)2(CC[6]HH){2|C<4>,2|H<1>}	113.9230	0.000	1	113.9230	0.000	1	113.1912	0.591	8	113.1912	0.591	8	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	112.7995	0.995	2	112.7995	0.990	2	113.1912	0.591	8	113.1912	0.591	8	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|B<4>,1|H<1>}	112.7083	0.488	3	112.7083	0.238	3	113.1912	0.591	8	113.1912	0.591	8	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5]C[5]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5]O)2(CC[6]HH){2|H<1>}	113.9640	0.000	1	113.9640	0.000	1	113.1912	0.591	8	113.1912	0.591	8	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH){1|C<3>,1|N<2>}	113.9260	0.000	1	113.9260	0.000	1	113.5760	0.245	2	113.5760	0.245	2	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH){2|C<4>,2|H<1>}	113.2260	0.000	1	113.2260	0.000	1	113.5760	0.245	2	113.5760	0.245	2	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:4:1:	4:4:4:1:	4:3:4:	C[6]-4:N[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(H){1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP2_SP3	C	C[6]	N[5]	4:3:4:1:	4:4:4:2:	4:3:4:	C[6]-4:N[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(OH)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH)	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(OH){1|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH){2|H<1>}	113.9287	0.302	3	113.9287	0.091	3	113.9287	0.091	3	113.9287	0.091	3	113.1172	2.134	28	113.4558	2.604	45
490	466	542	0:SP3_SP3_SP3	C	C[6,6]	N[5]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	112.6105	0.473	2	112.6105	0.224	2	112.6105	0.224	2	112.6105	0.224	2	112.6105	0.224	2	113.7200	1.547	5
490	466	542	0:SP3_SP3_SP3	C	C[6]	N[5]	3:4:1:1:	4:4:4:1:	4:4:4:	N[5]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH)	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH){1|O<2>,2|C<4>,4|H<1>}	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	114.4597	0.930	3	113.7200	1.547	5
490	466	542	0:SP3_SP3_SP3	C	C[6]	N[5]	4:3:1:1:	2:4:4:4:	4:4:4:	C[6]-4:N[5]-3:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[5]-4:C[5]-4:C-4:	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	N[5](C[5]C[5]HH)2(CC[6]HH)	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	N[5](C[5]C[5]HH)2(CC[6]HH){4|H<1>}	114.9095	0.804	2	114.9095	0.646	2	114.9095	0.646	2	114.9095	0.646	2	114.4597	0.930	3	113.7200	1.547	5
490	466	610	0:SP3_SP3_SP3	C	C[6]	B	4:4:1:1:	3:4:4:1:	3:3:3:4:	C[6]-4:B-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	B(C[6a]C[6a]2)3(CC[6]HH)	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	B(C[6a]C[6a]2)3(CC[6]HH)	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1
490	466	618	0:SP3_SP2_SP3	C	C[6]	B[6]	4:4:3:3:	4:4:4:1:	2:2:4:	C[6]-4:C[6]-4:B[6]-3:C-3:	C-4:C[6]-4:C[6]-4:H-1:	O[6]-2:O[6]-2:C-4:	C(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H)	B[6](O[6]C[6])2(CC[6]2C)	C(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	B[6](O[6]C[6])2(CC[6]2C){1|C<4>,4|H<1>}	107.7290	0.938	2	107.7290	0.879	2	107.7290	0.879	2	107.7290	0.879	2	107.7290	0.879	2	107.7290	0.879	2
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:1:	3:3:3:4:	3:3:4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]HH){1|C<3>,2|H<1>}	118.5750	0.000	1	118.5750	0.000	1	119.6813	0.923	3	119.6813	0.923	3	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:1:	3:3:3:4:	3:3:4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[3x6]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(CC[3x6]HH){1|C<3>,2|H<1>}	120.3070	0.000	1	120.2345	0.011	2	119.6813	0.923	3	119.6813	0.923	3	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:1:	3:3:3:4:	3:3:4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[3x6]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(CC[3x6]HH){1|C<3>,2|H<1>}	120.1620	0.000	1	120.2345	0.011	2	119.6813	0.923	3	119.6813	0.923	3	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:1:	3:4:2:4:	3:3:4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]HH)	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]HH){1|C<3>,2|H<1>}	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:1:	4:3:3:4:	3:3:4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[3x6]HH)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[3x6]HH){1|C<3>,2|H<1>}	116.2175	1.657	2	116.2175	2.745	2	116.2175	2.745	2	116.2175	2.745	2	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:1:1:	4:4:4:4:	3:3:4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[3x6]HH)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[3x6]HH){1|C<3>,2|H<1>}	116.6930	0.827	2	116.6930	0.684	2	116.6930	0.684	2	116.6930	0.684	2	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:2:1:	3:3:2:4:	3:3:4:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[3x6]HO){1|C<3>,1|H<1>,1|O<2>}	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:2:1:	4:4:4:4:	3:3:4:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[3x6]HO){1|C<3>,2|H<1>}	114.9480	0.792	2	114.9480	0.627	2	114.9480	0.627	2	114.9480	0.627	2	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:3:3:2:	4:4:4:4:	4:3:3:	C[3x6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O)	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O){3|C<4>,3|H<1>}	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.6160	6.411	2	114.6160	41.096	2	114.6160	41.096	2	114.6160	41.096	2	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:4:3:1:	4:4:4:4:	3:3:4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]2H)	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]H){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]2H){1|C<3>,2|H<1>}	112.7355	2.340	4	112.7355	5.474	4	112.7355	5.474	4	112.7355	5.474	4	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[3x6]	C[6a]	4:4:3:2:	4:4:4:4:	3:3:4:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]2O)	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]2O){1|C<3>,1|C<4>,1|H<1>}	112.0200	1.929	2	112.0200	3.721	2	112.0200	3.721	2	112.0200	3.721	2	115.1788	9.999	19	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1	115.3070	0.000	1	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	112.5885	0.368	2	112.5885	0.136	2	112.5885	0.136	2	112.5885	0.136	2	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:3:3:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	114.2190	0.000	1	114.2190	0.000	1	115.6175	3.912	2	115.6175	3.912	2	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:3:3:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6,6]HH){1|H<1>,2|O<2>,3|C<3>}	117.0160	0.000	1	117.0160	0.000	1	115.6175	3.912	2	115.6175	3.912	2	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	114.2791	9.192	7	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	114.1530	2.619	4	114.1530	6.857	4	114.4272	5.519	5	114.2791	9.192	7	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	115.5240	0.000	1	115.5240	0.000	1	114.4272	5.519	5	114.2791	9.192	7	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:O-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	114.2791	9.192	7	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:3:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	116.3150	1.151	4	116.3150	1.324	4	115.8257	1.952	8	115.9131	1.605	10	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:3:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	115.3993	1.966	3	115.3993	3.864	3	115.8257	1.952	8	115.9131	1.605	10	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:3:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	115.1480	0.000	1	115.1480	0.000	1	115.8257	1.952	8	115.9131	1.605	10	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:3:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	116.2625	0.691	2	116.2625	0.477	2	116.2625	0.477	2	115.9131	1.605	10	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	113.2780	0.000	1	113.2780	0.000	1	113.2780	0.000	1	112.9067	0.682	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	112.0225	0.265	2	112.0225	0.070	2	112.0225	0.070	2	112.9067	0.682	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	112.9067	0.682	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	113.1215	0.783	2	113.1215	0.613	2	113.1215	0.613	2	112.9067	0.682	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	118.1608	3.353	4	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	118.1608	3.353	4	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6,6]-4:C[6a]-3:H-1:H-1:	Ga[3x6]-4:Ga[3x6]-4:Si-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	119.6025	0.930	2	119.6025	0.865	2	119.6025	0.865	2	118.1608	3.353	4	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:N-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	111.5753	6.366	20	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	111.5753	6.366	20	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	112.6917	0.420	3	112.6917	0.177	3	111.3067	6.480	16	111.5753	6.366	20	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	109.9630	1.793	10	109.9630	3.214	10	111.3067	6.480	16	111.5753	6.366	20	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	114.4007	2.774	3	114.4007	7.694	3	111.3067	6.480	16	111.5753	6.366	20	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	112.7590	0.000	1	112.7590	0.000	1	113.5320	1.195	2	111.5753	6.366	20	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	114.3050	0.000	1	114.3050	0.000	1	113.5320	1.195	2	111.5753	6.366	20	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	108.7246	3.220	42	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	109.0110	1.404	4	109.0110	1.972	4	108.4141	1.214	39	108.7246	3.220	42	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	108.3572	1.578	6	108.3572	2.491	6	108.4141	1.214	39	108.7246	3.220	42	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	108.3436	0.967	29	108.3436	0.935	29	108.4141	1.214	39	108.7246	3.220	42	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	N[3x6]-4:C[6,6]-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	115.0980	0.676	2	115.0980	0.457	2	115.0980	0.457	2	108.7246	3.220	42	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:2:1:	4:4:4:4:	3:3:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:N-3:H-1:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HN)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H){2|N<3>,8|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6,6]HN){1|C<3>,2|H<1>}	112.1965	1.057	2	112.1965	1.118	2	112.1965	1.118	2	112.1965	1.118	2	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6,6]HN)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6,6]HN){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	108.3540	0.000	1	108.3540	0.000	1	109.8245	1.029	6	109.8245	1.029	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	109.7907	0.479	3	109.7907	0.230	3	109.8245	1.029	6	109.8245	1.029	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	111.4110	0.000	1	111.4110	0.000	1	109.8245	1.029	6	109.8245	1.029	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	109.8100	0.000	1	109.8100	0.000	1	109.8245	1.029	6	109.8245	1.029	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]N[5]H)(C[6a]C[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]N[5]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(C[6a]C[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C[6a](CC[6,6]C[6a]H)(C[6a]C[6a]H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C[6a](CC[6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.7860	3.435	2	110.7860	11.800	2	111.6802	2.943	6	111.6802	2.943	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.1273	0.416	4	112.1273	0.173	4	111.6802	2.943	6	111.6802	2.943	6	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:3:	3:3:4:1:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:N-3:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H)	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H){2|N<3>,8|H<1>}	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.1175	3.639	2	108.1175	13.246	2	108.1175	13.246	2	108.1175	13.246	2	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]CN)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6,6]CN){1|C<3>,2|H<1>}	110.8830	0.184	2	110.8830	0.034	2	110.8830	0.034	2	110.8830	0.034	2	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6,6]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6a]-3:C-4:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]CH)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]CH){1|N<2>,2|C<3>,2|H<1>}	111.0210	0.544	2	111.0210	0.296	2	111.0210	0.296	2	111.0210	0.296	2	111.4263	10.577	120	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:3:4:	3:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|C<3>,2|H<1>}	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.0310	3.794	3	109.1378	6.384	6	109.1378	6.384	6	109.1378	6.384	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:3:4:	3:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|N<3>,2|H<1>}	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.2447	1.238	3	109.1378	6.384	6	109.1378	6.384	6	109.1378	6.384	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.0050	3.845	3	110.0050	14.781	3	109.8304	5.582	12	109.8304	5.582	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.7722	1.991	9	109.7722	3.964	9	109.8304	5.582	12	109.8304	5.582	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.6625	1.054	2	113.6625	1.112	2	113.0040	0.962	4	113.0040	0.962	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	112.4890	0.000	1	112.4890	0.000	1	113.0040	0.962	4	113.0040	0.962	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.2020	0.000	1	112.2020	0.000	1	113.0040	0.962	4	113.0040	0.962	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	113.6920	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:4:2:	4:4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(CC[6a]2O)(H){1|N<3>,4|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.7170	0.738	2	110.7170	0.545	2	110.7170	0.545	2	110.7170	0.545	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:3:4:4:	4:4:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:Si-4:	C[6]-4:C-4:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H)	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.9610	4.671	2	110.9610	21.820	2	110.9610	21.820	2	110.9610	21.820	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	2:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	N[6]-2:C[6]-3:C-4:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){2|H<1>,3|C<3>}	114.0070	0.000	1	114.0070	0.000	1	114.0070	0.000	1	114.0070	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	2:4:2:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	O[6]-2:C-4:O[6]-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH){1|C<3>,2|H<1>}	116.3620	2.473	3	116.3620	6.114	3	116.3620	6.114	3	116.3620	6.114	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(H){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.3170	0.000	2	113.3170	0.000	2	114.5842	6.113	8	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.4780	0.000	1	112.3080	0.058	2	114.5842	6.113	8	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|Si<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.1380	0.000	1	112.3080	0.058	2	114.5842	6.113	8	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(H){1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	115.0310	0.000	1	115.0310	0.000	1	114.5842	6.113	8	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(H){1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	115.3470	1.280	2	115.3470	1.638	2	114.5842	6.113	8	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]O)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(H){1|C<4>}	C[6a](C[6a]C[6a]O)2(CC[6]HH){1|C<3>,2|H<1>}	119.6990	0.000	1	119.6990	0.000	1	114.5842	6.113	8	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.5670	0.000	1	113.5670	0.000	1	113.5670	0.000	1	114.2580	5.312	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.9737	0.718	3	113.9737	0.516	3	113.9737	0.516	3	113.9737	0.516	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN){1|C<4>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,3|C<3>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,1|N<3>,3|C<3>}	115.6590	0.000	1	115.6590	0.000	1	115.0575	0.724	2	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN){1|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,1|N<3>,3|C<3>}	114.4560	0.000	1	114.4560	0.000	1	115.0575	0.724	2	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3){1|S<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.9430	0.482	4	113.9430	0.232	4	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	116.4940	0.000	1	116.4940	0.000	1	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.7790	0.219	2	114.7790	0.048	2	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.7605	0.549	2	113.0153	1.817	3	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	111.5250	0.000	1	113.0153	1.817	3	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]O)2(CC[6a]HH)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.7722	0.639	6	114.7722	0.409	6	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.7650	0.000	1	115.7650	0.000	1	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH){1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.1815	1.191	2	115.1815	1.420	2	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3){1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.0715	0.725	2	115.0715	0.525	2	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]O)2(CC[6a]HH)2{1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.5430	1.557	2	115.5430	2.424	2	114.6461	1.277	23	114.7464	1.283	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:2:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	117.9670	0.000	1	117.9670	0.000	1	114.9063	2.975	6	114.9063	2.975	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6]HH){2|C<3>}	114.8750	0.000	1	114.8750	0.000	1	114.9063	2.975	6	114.9063	2.975	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	114.0200	0.000	1	114.0200	0.000	1	114.9063	2.975	6	114.9063	2.975	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.9205	0.064	2	114.1920	1.594	3	114.9063	2.975	6	114.9063	2.975	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.7350	0.000	1	114.1920	1.594	3	114.9063	2.975	6	114.9063	2.975	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.8435	0.299	2	114.8435	0.089	2	115.1143	0.316	6	114.7362	0.951	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2585	0.773	2	115.2585	0.597	2	115.1143	0.316	6	114.7362	0.951	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2410	0.820	2	115.2410	0.673	2	115.1143	0.316	6	114.7362	0.951	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.5100	0.000	1	114.5100	0.000	1	113.6020	1.649	2	114.7362	0.951	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	112.6940	0.000	1	112.6940	0.000	1	113.6020	1.649	2	114.7362	0.951	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO){1|Fe<10>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:2:2:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C-4:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	C[6](CC[6a]HH)(S[6]C[6])2(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	C[6](CC[6a]HH)(S[6]C[6])2(CHHN){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	115.2870	0.000	1	115.2870	0.000	1	115.2870	0.000	1	115.2870	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:2:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,3|C<3>}	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.7725	0.415	2	111.7725	0.172	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.1520	0.000	1	115.3863	1.406	3	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.0035	0.726	2	115.3863	1.406	3	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.7210	0.000	1	111.7210	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.7560	0.000	1	112.7560	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.8310	0.000	1	116.8310	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.6370	0.000	1	113.6370	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2590	0.000	1	115.2590	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	114.2760	3.217	2	114.2760	10.351	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	115.2190	0.000	1	115.2190	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.0400	0.000	1	113.3297	0.461	3	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.9745	0.405	2	113.3297	0.461	3	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	115.9980	0.000	1	115.9980	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.3850	0.000	1	113.3850	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.2630	0.000	1	116.2630	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.1640	0.000	1	114.8880	1.048	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.6120	0.000	1	114.8880	1.048	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.8615	0.856	2	111.7917	0.381	3	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|F<1>,1|H<1>}	111.6520	0.000	1	111.7917	0.381	3	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.2095	0.095	2	114.2095	0.009	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.1910	0.000	1	114.7765	0.344	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.3620	0.000	1	114.7765	0.344	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.9180	0.000	1	113.9180	0.000	1	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	110.2465	2.691	2	110.2465	7.239	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.9970	0.658	2	112.9970	0.432	2	113.7225	3.559	33	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:N[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH){1|N<3>,2|O<1>}	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	113.7893	3.427	35	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	114.6163	2.135	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	114.6163	2.135	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	114.6163	2.135	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.0165	1.064	2	115.0165	1.133	2	115.1050	0.590	3	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2820	0.000	1	115.2820	0.000	1	115.1050	0.590	3	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.6390	0.000	1	115.6390	0.000	1	115.1357	2.833	10	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.4455	2.186	2	115.4455	4.777	2	115.1357	2.833	10	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2440	0.000	1	115.2440	0.000	1	115.1357	2.833	10	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	116.8305	0.315	2	116.8305	0.099	2	115.1357	2.833	10	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.3885	1.150	2	113.3885	1.324	2	115.1357	2.833	10	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.7900	0.000	1	112.7900	0.000	1	115.1357	2.833	10	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.3550	0.000	1	116.3550	0.000	1	115.1357	2.833	10	115.1286	2.223	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	118.4190	0.000	1	118.4190	0.000	1	116.6365	6.355	2	116.6365	6.355	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.8540	0.000	1	114.8540	0.000	1	116.6365	6.355	2	116.6365	6.355	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:2:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	114.3410	0.413	2	114.8500	0.863	3	114.4838	1.112	4	114.4838	1.112	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:2:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	115.8680	0.000	1	114.8500	0.863	3	114.4838	1.112	4	114.4838	1.112	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:2:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|N<3>,1|O<1>,1|S<2>}	113.3850	0.000	1	113.3850	0.000	1	114.4838	1.112	4	114.4838	1.112	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.9910	0.000	1	114.9910	0.000	1	114.9910	0.000	1	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6]HH){1|Cl<1>,1|C<3>,2|C<4>}	117.1910	0.000	1	117.1910	0.000	1	117.1910	0.000	1	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.2283	0.462	3	114.2283	0.213	3	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.8770	0.000	1	115.8770	0.000	1	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.3430	0.000	1	114.3430	0.000	1	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.1730	0.000	1	112.1730	0.000	1	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.0582	1.242	5	115.0582	1.543	5	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.6180	0.547	2	113.6180	0.300	2	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.6010	0.000	1	115.6010	0.000	1	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	116.2710	0.000	1	116.2710	0.000	1	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.6820	0.000	1	114.6235	0.731	4	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.5000	0.619	2	114.6235	0.731	4	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.8120	0.000	1	114.6235	0.731	4	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	113.5290	0.000	1	113.5290	0.000	1	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	116.0870	0.150	2	116.0870	0.022	2	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	115.1330	0.000	1	115.1330	0.000	1	114.7307	1.334	23	115.0919	3.062	26	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2800	0.000	1	115.2800	0.000	1	115.4487	0.616	3	115.5164	0.274	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.3040	0.000	1	116.3040	0.000	1	115.4487	0.616	3	115.5164	0.274	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.7620	0.000	1	114.7620	0.000	1	115.4487	0.616	3	115.5164	0.274	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	115.3370	0.000	1	115.3370	0.000	1	115.5673	0.130	4	115.5164	0.274	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.8560	0.000	1	115.8560	0.000	1	115.5673	0.130	4	115.5164	0.274	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.5380	0.502	2	115.5380	0.252	2	115.5673	0.130	4	115.5164	0.274	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.2780	0.000	1	115.2780	0.000	1	115.8374	2.268	7	115.9196	1.998	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.5085	2.997	2	116.5085	8.985	2	115.8374	2.268	7	115.9196	1.998	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.4230	0.359	2	116.4230	0.129	2	115.8374	2.268	7	115.9196	1.998	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.8605	0.827	2	114.8605	0.683	2	115.8374	2.268	7	115.9196	1.998	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[5a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	115.9196	1.998	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:4:	3:2:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:O[6a]-2:C-4:	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CC[6]HH)	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH){1|N<2>,1|O<2>,2|C<3>}	120.0300	0.112	2	120.0300	0.012	2	120.0300	0.012	2	118.5646	1.953	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	117.2880	0.320	2	117.2880	0.102	2	117.5877	0.320	3	118.5646	1.953	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	118.1870	0.000	1	118.1870	0.000	1	117.5877	0.320	3	118.5646	1.953	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.7777	1.918	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	113.7777	1.918	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|N<2>,2|C<3>,2|H<1>}	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	113.7777	1.918	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:3:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-2:H-1:	C[6]-3:C[6]-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	111.0915	5.486	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	113.6170	0.532	2	113.6170	0.283	2	111.0822	6.856	5	111.0915	5.486	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	108.4935	0.937	2	108.4935	0.878	2	111.0822	6.856	5	111.0915	5.486	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	111.1900	0.000	1	111.1900	0.000	1	111.0822	6.856	5	111.0915	5.486	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	113.5340	1.461	5	113.5340	2.135	5	112.6877	1.931	12	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	112.2253	0.480	3	112.2253	0.231	3	112.6877	1.931	12	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	113.8290	0.000	1	113.8290	0.000	1	112.6877	1.931	12	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	112.0240	0.000	1	112.0240	0.000	1	112.6877	1.931	12	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.6440	0.000	1	111.6440	0.000	1	112.6877	1.931	12	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	110.4100	0.000	1	110.4100	0.000	1	112.6877	1.931	12	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	110.9477	1.193	4	110.9477	1.422	4	111.3957	1.480	6	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	112.2915	0.853	2	112.2915	0.728	2	111.3957	1.480	6	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	112.6960	0.000	1	112.6960	0.000	1	112.6960	0.000	1	112.2449	1.894	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.2760	0.000	1	113.2760	0.000	1	113.2760	0.000	1	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.8533	0.819	3	111.8533	0.671	3	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	112.5630	1.066	2	112.5630	1.137	2	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	112.0185	1.042	2	112.0185	1.085	2	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	112.3320	1.645	2	112.3320	2.705	2	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HO){1|H<1>,2|C<3>}	112.3530	0.000	1	112.3530	0.000	1	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.9770	0.004	2	112.1228	0.175	6	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	112.2230	0.000	1	112.1228	0.175	6	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	112.1867	0.637	3	112.1228	0.175	6	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	118.4680	0.000	1	118.4680	0.000	1	112.5262	2.838	17	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	111.4116	0.907	7	111.4116	0.823	7	111.4116	0.823	7	112.2441	2.401	25	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:2:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	114.0640	0.000	1	114.0640	0.000	1	114.0640	0.000	1	114.0640	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:3:4:1:	2:4:3:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	O[6a]-2:C-4:C[6a]-3:	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C)	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C){1|O<1>,2|C<3>}	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	C[6](N[6]C[6]S)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	C[6](N[6]C[6]S)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	113.1145	0.175	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]H)2(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]H)2(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	113.1145	0.175	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:3:4:1:	4:3:3:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:3:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	112.4495	2.372	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	112.4495	2.372	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	113.6190	0.000	1	113.6190	0.000	1	113.5080	0.025	2	112.4495	2.372	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|Br<1>,1|C<3>,1|H<1>}	113.3970	0.000	1	113.3970	0.000	1	113.5080	0.025	2	112.4495	2.372	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.8110	0.000	1	112.8110	0.000	1	113.0170	0.085	2	113.0170	0.085	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	3:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.2230	0.000	1	113.2230	0.000	1	113.0170	0.085	2	113.0170	0.085	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:2:2:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C-4:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	C[6](CC[6a]HN)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	C[6](CC[6a]HN)(S[6]C[6])2(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.2390	0.000	1	112.2390	0.000	1	112.2390	0.000	1	112.2390	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:2:2:3:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C-4:S[6]-2:S[6]-2:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]S[6]2C)(CCH)(H)	C[6](CC[6a]CH)(S[6]C[6])2(CCO)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]S[6]2C)(CCH)(H)	C[6](CC[6a]CH)(S[6]C[6])2(CCO){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.8475	0.852	2	112.8475	0.726	2	112.6267	0.509	3	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.1850	0.000	1	112.1850	0.000	1	112.6267	0.509	3	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN){1|C<3>,2|H<1>}	113.0730	0.000	1	113.0730	0.000	1	111.9743	1.197	11	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.1643	1.533	3	112.1643	2.350	3	111.9743	1.197	11	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HN){1|H<1>,2|C<3>}	111.8030	0.000	1	111.8030	0.000	1	111.9743	1.197	11	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	111.4420	0.000	1	110.9785	0.430	2	111.9743	1.197	11	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|Cl<1>,1|C<3>,1|H<1>}	110.5150	0.000	1	110.9785	0.430	2	111.9743	1.197	11	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.0585	0.555	2	112.0977	1.150	4	111.9743	1.197	11	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.1370	1.771	2	112.0977	1.150	4	111.9743	1.197	11	112.1141	1.076	14	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	112.6470	0.105	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.6470	0.105	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]N[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]N[6]H){1|C<3>,1|H<1>,1|O<2>}	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	113.1560	0.000	1	113.1560	0.000	1	112.3810	2.911	4	112.4234	1.481	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|Cl<1>,1|C<3>,1|S<2>}	114.4210	0.000	1	114.4210	0.000	1	112.3810	2.911	4	112.4234	1.481	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	110.9735	0.094	2	110.9735	0.009	2	112.3810	2.911	4	112.4234	1.481	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.6590	0.000	1	112.6590	0.000	1	112.4800	0.067	3	112.4234	1.481	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H){3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.3905	0.293	2	112.3905	0.086	2	112.4800	0.067	3	112.4234	1.481	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.9860	0.000	1	112.9860	0.000	1	114.6520	1.392	4	114.4290	1.175	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.6490	0.000	1	114.6490	0.000	1	114.6520	1.392	4	114.4290	1.175	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	115.4865	0.090	2	115.4865	0.008	2	114.6520	1.392	4	114.4290	1.175	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	113.9830	1.049	2	113.9830	1.101	2	113.9830	1.101	2	114.4290	1.175	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:2:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	110.6020	0.000	1	111.9368	1.207	5	111.9368	1.207	5	111.9368	1.207	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:2:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	111.5260	0.445	2	111.9368	1.207	5	111.9368	1.207	5	111.9368	1.207	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:2:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|O<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	113.0150	0.430	2	111.9368	1.207	5	111.9368	1.207	5	111.9368	1.207	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:3:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:F-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CF)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CF){1|C<3>,2|H<1>}	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	112.5247	1.539	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	111.8140	0.000	1	111.8140	0.000	1	112.7326	1.392	7	112.5247	1.539	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.3730	0.000	1	111.3730	0.000	1	112.7326	1.392	7	112.5247	1.539	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.9567	1.088	4	112.9567	1.184	4	112.7326	1.392	7	112.5247	1.539	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	114.1140	0.000	1	114.1140	0.000	1	112.7326	1.392	7	112.5247	1.539	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	115.3940	0.000	1	115.3940	0.000	1	112.1967	4.376	10	112.1967	4.376	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.0195	1.315	2	111.0195	1.728	2	112.1967	4.376	10	112.1967	4.376	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.8140	0.000	2	111.8140	0.000	2	112.1967	4.376	10	112.1967	4.376	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.6075	1.921	2	114.6075	3.691	2	112.1967	4.376	10	112.1967	4.376	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	110.1430	0.000	1	110.1430	0.000	1	112.1967	4.376	10	112.1967	4.376	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.7740	0.887	2	110.7740	0.786	2	112.1967	4.376	10	112.1967	4.376	10	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	114.5690	0.000	1	114.5690	0.000	1	114.1178	0.254	5	114.1178	0.254	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	3:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.0050	0.504	4	114.0050	0.254	4	114.1178	0.254	5	114.1178	0.254	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C-4:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]2H)	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H){1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]2H){1|C<3>,2|H<1>}	110.8990	1.908	2	110.8990	3.640	2	110.8990	3.640	2	111.6643	3.577	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C-4:S[6]-3:S[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6](CC[6a]C[6]H)(S[6]C[6]O)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6](CC[6a]C[6]H)(S[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	111.6643	3.577	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]CH){2|H<1>,3|C<3>}	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.8160	0.000	1	111.8160	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.0670	0.000	1	114.0670	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.4360	0.000	1	113.4360	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.7190	0.000	1	112.7190	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,2|H<1>}	109.3520	0.000	1	109.3520	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.0390	0.000	1	113.0390	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.7560	0.000	1	112.7560	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.1100	0.000	1	111.1100	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.0980	0.000	1	113.0980	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	113.3360	0.000	1	113.3360	0.000	1	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.8888	0.623	5	112.1055	0.592	6	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.1890	0.000	1	112.1055	0.592	6	112.3351	1.371	16	112.2549	1.394	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	114.8925	0.281	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	115.2670	0.000	1	115.2670	0.000	1	115.2670	0.000	1	114.8925	0.281	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:3:4:4:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	118.1703	0.800	3	118.1703	0.640	3	118.1703	0.640	3	118.1703	0.640	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H){1|C<3>,2|H<1>}	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	114.4510	2.957	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	113.2350	0.000	1	113.2350	0.000	1	113.2350	0.000	1	114.4510	2.957	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	112.4338	0.176	4	112.4338	0.031	4	111.2588	1.420	10	111.8134	4.661	11	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.1650	0.000	1	110.1650	0.000	1	111.2588	1.420	10	111.8134	4.661	11	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.2588	1.420	10	111.8134	4.661	11	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.0970	1.049	2	110.0970	1.101	2	111.2588	1.420	10	111.8134	4.661	11	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){1|N<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.6780	0.000	1	110.6780	0.000	1	111.2588	1.420	10	111.8134	4.661	11	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.0190	0.000	1	110.0190	0.000	1	111.2588	1.420	10	111.8134	4.661	11	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HH)2(CC[6a]HS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HH)2(CC[6a]HS)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	117.3590	0.000	1	117.3590	0.000	1	117.3590	0.000	1	111.8134	4.661	11	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.2400	0.000	1	114.2400	0.000	1	114.2763	1.228	18	114.2763	1.228	18	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.4741	1.061	15	114.4741	1.126	15	114.2763	1.228	18	114.2763	1.228	18	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	112.4790	0.000	1	112.8105	0.220	2	114.2763	1.228	18	114.2763	1.228	18	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	113.1420	0.000	1	112.8105	0.220	2	114.2763	1.228	18	114.2763	1.228	18	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OMg2)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OMg2){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:2:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|O<2>}	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	112.1312	8.846	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[6]HH)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[6]HH)2(CC[6a]CO)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	112.1312	8.846	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:S-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CS)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CS)(H){1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CS){1|C<3>,2|H<1>}	114.5280	0.252	2	114.5280	0.063	2	114.5280	0.063	2	112.1312	8.846	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:3:	4:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|Cl<1>,1|C<3>,1|H<1>}	108.6240	0.000	1	108.6240	0.000	1	110.1541	3.638	9	110.1541	3.638	9	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CC){1|C<3>,2|H<1>}	110.8190	0.000	1	110.8190	0.000	1	110.1541	3.638	9	110.1541	3.638	9	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]CC){1|C<3>,2|H<1>}	109.4700	0.000	1	109.4700	0.000	1	110.1541	3.638	9	110.1541	3.638	9	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CC){1|C<3>,1|H<1>,1|O<2>}	110.1540	0.219	3	110.1540	0.048	3	110.1541	3.638	9	110.1541	3.638	9	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]CC){1|C<3>,2|H<1>}	108.5860	0.000	1	108.5860	0.000	1	110.1541	3.638	9	110.1541	3.638	9	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	108.6770	0.000	1	108.6770	0.000	1	110.1541	3.638	9	110.1541	3.638	9	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]O)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6a](C[6a]C[6a]O)2(CC[6]CC){1|C<3>,2|H<1>}	114.7490	0.000	1	114.7490	0.000	1	110.1541	3.638	9	110.1541	3.638	9	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	113.1270	0.000	1	113.1270	0.000	1	110.9168	2.053	20	110.9168	2.053	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]CC){1|H<1>,2|C<3>}	111.2280	1.503	4	111.2280	2.260	4	110.9168	2.053	20	110.9168	2.053	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	110.6864	1.367	15	110.6864	1.868	15	110.9168	2.053	20	110.9168	2.053	20	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.9250	0.000	1	114.9250	0.000	1	113.3020	5.268	2	111.9760	1.708	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.6790	0.000	1	111.6790	0.000	1	113.3020	5.268	2	111.9760	1.708	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:O-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	111.4500	0.162	3	111.4500	0.026	3	111.4456	0.014	5	111.9760	1.708	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:O-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.4390	0.054	2	111.4390	0.003	2	111.4456	0.014	5	111.9760	1.708	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-2:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.7170	0.000	1	115.7170	0.000	1	114.3812	1.013	4	114.3812	1.013	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-2:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2{2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.6385	0.357	2	113.6385	0.128	2	114.3812	1.013	4	114.3812	1.013	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-2:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.5310	0.000	1	114.5310	0.000	1	114.3812	1.013	4	114.3812	1.013	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	2:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:2:3:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.7780	0.000	1	114.7780	0.000	1	114.7780	0.000	1	114.7780	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	115.9154	1.181	5	115.9154	1.396	5	115.3082	1.653	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	116.7930	0.000	1	114.7010	1.402	5	115.3082	1.653	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	114.1780	0.214	4	114.7010	1.402	5	115.3082	1.653	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	114.5340	0.000	1	116.2450	1.465	4	116.0721	1.623	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	116.8153	0.496	3	116.2450	1.465	4	116.0721	1.623	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	116.9230	0.000	1	115.7883	0.589	4	116.0721	1.623	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	115.2280	0.000	1	115.7883	0.589	4	116.0721	1.623	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	115.5010	0.006	2	115.7883	0.589	4	116.0721	1.623	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,2|O<2>,3|C<3>}	118.2820	0.000	1	118.2820	0.000	1	116.0721	1.623	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	114.3060	0.000	1	114.3060	0.000	1	116.0721	1.623	10	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	114.7130	0.447	2	114.8490	1.254	9	114.5665	1.432	11	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	115.3625	1.111	4	114.8490	1.254	9	114.5665	1.432	11	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.2550	1.412	3	114.8490	1.254	9	114.5665	1.432	11	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	113.7030	0.000	1	113.7030	0.000	1	114.5665	1.432	11	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.8880	0.000	1	112.8880	0.000	1	114.5665	1.432	11	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.0327	1.258	3	116.0327	1.582	3	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.2420	0.473	4	113.0570	0.339	5	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.3170	0.000	1	113.0570	0.339	5	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	111.7340	0.000	1	111.7340	0.000	1	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.1995	1.312	4	114.1995	1.721	4	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HH){1|H<1>,2|C<3>}	114.1810	0.000	1	114.1810	0.000	1	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.3050	0.751	10	113.3050	0.564	10	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.1767	0.655	3	113.1715	0.286	4	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.1560	0.000	1	113.1715	0.286	4	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.3005	0.844	13	113.3005	0.712	13	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.6569	1.012	12	112.6569	1.024	12	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	107.9845	0.361	2	107.9845	0.131	2	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.8460	0.000	1	114.2562	2.102	17	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.1980	0.000	1	114.2562	2.102	17	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.0130	0.000	1	114.2562	2.102	17	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.4370	0.000	1	114.2562	2.102	17	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.6733	1.399	10	114.2562	2.102	17	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.7097	1.727	3	114.2562	2.102	17	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.2784	0.417	5	113.2784	0.174	5	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.7170	0.000	1	113.1436	1.272	5	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.0315	0.042	2	113.1436	1.272	5	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.9690	0.960	2	113.1436	1.272	5	113.3787	2.233	82	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.4660	0.000	1	113.4660	0.000	1	115.6347	4.257	3	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.7190	1.208	2	116.7190	1.459	2	115.6347	4.257	3	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.1200	0.000	1	115.1200	0.000	1	115.1200	0.000	1	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	114.1180	0.000	1	114.1180	0.000	1	113.4025	0.921	4	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.1640	1.020	3	113.1640	1.040	3	113.4025	0.921	4	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	113.4870	0.668	2	113.4870	0.446	2	113.8145	0.320	4	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	114.3470	0.000	1	114.3470	0.000	1	113.8145	0.320	4	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	113.9370	0.000	1	113.9370	0.000	1	113.8145	0.320	4	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.4970	0.334	4	115.4970	0.111	4	114.1721	5.457	9	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	117.9130	0.000	1	117.9130	0.000	1	114.1721	5.457	9	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.8350	0.950	3	111.8350	0.902	3	114.1721	5.457	9	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.1430	0.000	1	112.1430	0.000	1	114.1721	5.457	9	113.9727	2.883	137	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.2965	0.551	2	114.2965	0.303	2	114.2965	0.303	2	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<3>}	118.7170	0.000	1	118.7170	0.000	1	118.7170	0.000	1	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	111.0465	3.029	2	111.0465	9.172	2	111.0465	9.172	2	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.6330	0.000	1	114.6330	0.000	1	114.6330	0.000	1	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	115.2870	0.000	1	115.2870	0.000	1	114.1018	5.057	4	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	112.6560	2.584	2	113.7067	6.650	3	114.1018	5.057	4	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.8080	0.000	1	113.7067	6.650	3	114.1018	5.057	4	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.8890	0.741	2	115.8890	0.549	2	115.6133	0.503	3	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	115.0620	0.000	1	115.0620	0.000	1	115.6133	0.503	3	114.4064	5.969	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:3:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.9035	0.726	2	115.9035	0.527	2	115.9035	0.527	2	114.4248	3.107	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:3:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.9460	0.219	2	112.9460	0.048	2	112.9460	0.048	2	114.4248	3.107	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.1280	2.420	2	116.1280	5.855	2	116.1280	5.855	2	115.0703	3.229	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.4655	0.582	2	114.4655	0.339	2	115.0722	2.257	4	115.0703	3.229	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.6790	2.227	2	115.6790	4.961	2	115.0722	2.257	4	115.0703	3.229	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	115.0703	3.229	7	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	113.7890	1.484	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.1550	0.000	1	113.1550	0.000	1	113.3577	0.992	7	113.7890	1.484	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]F)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]F)2(CC[6]HH){1|C<3>,2|F<1>}	113.5680	0.000	1	113.5680	0.000	1	113.3577	0.992	7	113.7890	1.484	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.3562	1.211	5	113.3562	1.467	5	113.3577	0.992	7	113.7890	1.484	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.0990	0.000	1	114.0990	0.000	1	113.9925	1.349	4	113.7890	1.484	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.5200	0.000	1	113.9570	2.016	3	113.9925	1.349	4	113.7890	1.484	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.1755	1.935	2	113.9570	2.016	3	113.9925	1.349	4	113.7890	1.484	12	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	113.6680	0.000	1	113.6405	0.002	2	114.1497	0.779	3	113.9232	0.724	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.6130	0.000	1	113.6405	0.002	2	114.1497	0.779	3	113.9232	0.724	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.1680	0.000	1	115.1680	0.000	1	114.1497	0.779	3	113.9232	0.724	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:2:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	113.2440	0.000	1	113.2440	0.000	1	113.2440	0.000	1	113.9232	0.724	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:3:3:	3:3:4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:3:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.8305	1.828	2	116.8305	3.341	2	116.8305	3.341	2	116.8305	3.341	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.3245	0.268	2	111.3245	0.072	2	111.3245	0.072	2	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	113.4230	0.000	1	111.9815	4.156	2	111.9815	4.156	2	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	110.5400	0.000	1	111.9815	4.156	2	111.9815	4.156	2	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.1850	0.496	2	114.1850	0.246	2	112.9218	2.026	5	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.5230	0.824	2	112.0797	1.270	3	112.9218	2.026	5	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.1930	0.000	1	112.0797	1.270	3	112.9218	2.026	5	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.5170	0.000	1	112.5170	0.000	1	113.9140	1.468	3	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.6125	0.088	2	114.6125	0.008	2	113.9140	1.468	3	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	S[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|S<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.5305	2.601	2	115.5305	6.768	2	115.5305	6.768	2	112.9858	3.174	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.1030	0.000	1	114.1030	0.000	1	114.1030	0.000	1	114.1030	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:3:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	113.1165	4.372	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	3:4:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:O-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	111.6380	0.000	1	111.6380	0.000	1	111.6380	0.000	1	113.1165	4.372	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C-4:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	110.9920	0.000	1	110.9920	0.000	1	114.0958	2.706	6	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(CC[6]HH){1|C<3>,1|H<1>}	114.0420	0.587	2	114.0420	0.344	2	114.0958	2.706	6	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	115.3880	0.000	1	115.2870	0.020	2	114.0958	2.706	6	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	115.1860	0.000	1	115.2870	0.020	2	114.0958	2.706	6	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.9250	0.000	1	114.9250	0.000	1	114.0958	2.706	6	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H){3|C<3>}	C[6a](C[6a]C[6a]C)2(CC[6]HH){1|C<3>,2|H<1>}	111.8530	0.000	1	111.8530	0.000	1	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	110.6500	0.000	1	110.6500	0.000	1	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.3270	0.000	1	111.2518	1.069	4	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	110.8933	0.912	3	111.2518	1.069	4	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	110.7500	0.000	1	111.8178	1.850	4	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.6580	0.000	1	111.8178	1.850	4	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.0840	0.000	1	111.8178	1.850	4	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.7790	0.000	1	111.8178	1.850	4	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.4200	0.000	1	112.4200	0.000	1	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.5440	0.000	1	115.5440	0.000	1	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.5270	0.000	1	111.5270	0.000	1	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.7610	0.000	1	116.1523	18.062	6	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.3377	0.913	3	116.1523	18.062	6	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	122.0480	0.000	1	116.1523	18.062	6	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	121.0920	0.000	1	116.1523	18.062	6	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.6620	0.000	1	113.6620	0.000	1	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.4835	0.142	2	113.4835	0.020	2	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	111.9940	1.355	2	111.9940	1.836	2	113.1585	8.544	24	113.4551	7.126	33	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3){4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	115.9442	3.698	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.4450	0.000	1	114.4450	0.000	1	116.1240	5.352	3	115.9442	3.698	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	116.9635	2.545	2	116.9635	6.476	2	116.1240	5.352	3	115.9442	3.698	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.4140	0.000	1	114.4140	0.000	1	114.4140	0.000	1	113.1415	2.832	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|F<1>,1|H<1>}	114.4250	0.000	1	114.7000	0.151	2	112.8870	3.054	5	113.1415	2.832	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.9750	0.000	1	114.7000	0.151	2	112.8870	3.054	5	113.1415	2.832	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,2|H<1>}	111.3820	0.000	1	111.3820	0.000	1	112.8870	3.054	5	113.1415	2.832	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.5250	0.000	1	112.5250	0.000	1	112.8870	3.054	5	113.1415	2.832	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,2|H<1>}	111.1280	0.000	1	111.1280	0.000	1	112.8870	3.054	5	113.1415	2.832	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:2:3:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO){1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.5315	2.449	2	114.5315	5.996	2	114.5315	5.996	2	114.5315	5.996	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:2:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|N<2>,1|N<3>}	113.5430	0.000	1	113.5430	0.000	1	115.3575	6.585	2	115.3575	6.585	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:2:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.1720	0.000	1	117.1720	0.000	1	115.3575	6.585	2	115.3575	6.585	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|I<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	112.9410	0.000	1	112.9410	0.000	1	112.8390	0.021	2	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	112.7370	0.000	1	112.7370	0.000	1	112.8390	0.021	2	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	116.3840	0.000	1	116.3840	0.000	1	116.3840	0.000	1	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	113.4190	0.000	1	116.4390	18.241	2	115.2082	8.315	4	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	119.4590	0.000	1	116.4390	18.241	2	115.2082	8.315	4	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.9775	0.803	2	113.9775	0.644	2	115.2082	8.315	4	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	114.9735	0.398	2	114.9735	0.158	2	113.5772	1.295	6	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	112.8305	0.593	2	112.8305	0.352	2	113.5772	1.295	6	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6]HH){1|H<1>,2|C<3>}	112.6990	0.000	1	112.6990	0.000	1	113.5772	1.295	6	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	113.1560	0.000	1	113.1560	0.000	1	113.5772	1.295	6	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.7420	0.000	1	115.7420	0.000	1	115.7420	0.000	1	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.1190	0.000	1	115.1190	0.000	1	119.4235	37.057	2	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	123.7280	0.000	1	123.7280	0.000	1	119.4235	37.057	2	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.1490	0.000	1	114.1490	0.000	1	114.1490	0.000	1	114.8880	8.267	17	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:2:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:O[6]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:3:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	115.4000	0.000	1	115.4000	0.000	1	114.7470	1.688	3	116.6822	5.179	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:3:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.4205	1.654	2	114.4205	2.735	2	114.7470	1.688	3	116.6822	5.179	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:3:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:S[6]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]HH)	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	118.6173	0.162	3	118.6173	0.026	3	118.6173	0.026	3	116.6822	5.179	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	118.8893	0.513	4	118.8893	0.263	4	118.8893	0.263	4	118.8893	0.263	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	111.6550	0.000	1	111.6550	0.000	1	111.6930	0.003	2	111.4567	0.173	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO){1|C<3>,2|H<1>}	111.7310	0.000	1	111.7310	0.000	1	111.6930	0.003	2	111.4567	0.173	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.4567	0.173	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	S[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	111.4567	0.173	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:N-2:H-1:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	113.8160	0.338	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:S-2:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HS)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HS){1|C<3>,1|H<1>,1|O<2>}	114.2270	0.000	1	114.2270	0.000	1	114.2270	0.000	1	113.8160	0.338	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.5277	0.101	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.7420	0.000	1	111.7420	0.000	1	111.4525	0.168	2	111.5277	0.101	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.1630	0.000	1	111.1630	0.000	1	111.4525	0.168	2	111.5277	0.101	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	3:4:2:4:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	113.7915	0.019	2	113.7915	0.000	2	113.7915	0.000	2	113.7915	0.000	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]F)2(CC[6]HO)	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]F)2(CC[6]HO){1|C<3>,2|F<1>}	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:N-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	111.7157	3.440	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.8626	1.428	5	111.8626	2.040	5	111.8626	2.040	5	111.7157	3.440	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	114.8410	0.000	1	114.8410	0.000	1	113.6143	6.377	3	111.7157	3.440	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	115.2920	0.000	1	115.2920	0.000	1	113.6143	6.377	3	111.7157	3.440	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	110.7100	0.000	1	110.7100	0.000	1	113.6143	6.377	3	111.7157	3.440	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	110.8140	0.000	1	110.8140	0.000	1	110.5915	0.218	4	111.7157	3.440	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	110.5173	0.542	3	110.5173	0.293	3	110.5915	0.218	4	111.7157	3.440	13	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:N-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.6560	3.026	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	112.6560	3.026	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:S-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	112.6560	3.026	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:S-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HS)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HS){1|C<3>,2|H<1>}	114.2570	0.000	1	114.2570	0.000	1	113.4135	1.423	2	113.4135	1.423	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:2:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:S-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	112.5700	0.000	1	112.5700	0.000	1	113.4135	1.423	2	113.4135	1.423	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:N-3:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	111.6640	0.000	1	111.6640	0.000	1	112.2600	1.032	4	112.2600	1.032	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:N-3:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HN)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HN){1|C<3>,2|H<1>}	113.0960	0.430	2	113.0960	0.185	2	112.2600	1.032	4	112.2600	1.032	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:N-3:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,1|C<4>,1|H<1>}	111.1840	0.000	1	111.1840	0.000	1	112.2600	1.032	4	112.2600	1.032	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	112.2058	0.784	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.1160	0.000	1	111.1160	0.000	1	112.4080	0.773	4	112.2058	0.784	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	112.9420	0.000	1	112.9420	0.000	1	112.4080	0.773	4	112.2058	0.784	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	112.9850	0.000	1	112.9850	0.000	1	112.4080	0.773	4	112.2058	0.784	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.5890	0.000	1	112.5890	0.000	1	112.4080	0.773	4	112.2058	0.784	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl){1|C<4>,4|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.8100	0.928	2	113.8100	0.861	2	113.8100	0.861	2	112.4273	3.388	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.7360	1.857	4	111.7360	3.448	4	111.7360	3.448	4	112.4273	3.388	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	111.8125	1.187	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	111.8125	1.187	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.0850	0.000	2	112.0850	0.000	2	112.3553	0.219	3	111.5802	0.843	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.8960	0.000	1	112.8960	0.000	1	112.3553	0.219	3	111.5802	0.843	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	110.7130	0.348	2	110.7130	0.121	2	110.7130	0.121	2	111.5802	0.843	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	111.5802	0.843	6	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:2:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.4975	1.399	2	111.4975	1.958	2	111.4975	1.958	2	111.4975	1.958	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){1|N<2>,1|N<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.3930	3.233	2	112.2442	3.772	4	112.2442	3.772	4	112.2442	3.772	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){2|H<1>,2|N<3>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.0955	0.880	2	112.2442	3.772	4	112.2442	3.772	4	112.2442	3.772	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:4:2:	3:4:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6a]-3:C-4:C[6a]-3:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O){2|C<3>}	113.0590	3.644	2	113.0590	13.282	2	113.0590	13.282	2	113.0590	13.282	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	3:4:4:2:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.8595	1.814	2	111.8595	3.290	2	111.8595	3.290	2	111.8595	3.290	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:N-3:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	4:4:2:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.1450	1.233	2	112.1450	1.521	2	112.1450	1.521	2	112.1450	1.521	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	3:4:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.2555	1.937	2	112.2555	3.751	2	111.5060	4.636	6	111.0681	4.137	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	3:4:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	110.8880	3.792	2	110.8880	14.376	2	111.5060	4.636	6	111.0681	4.137	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	3:4:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	111.3745	1.770	2	111.3745	3.133	2	111.5060	4.636	6	111.0681	4.137	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	3:4:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.7545	1.084	2	109.7545	1.175	2	109.7545	1.175	2	111.0681	4.137	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	3:4:4:4:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5965	6.387	2	112.5965	40.798	2	112.5965	40.798	2	112.5965	40.798	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.6500	1.484	2	110.6500	2.201	2	111.0584	3.384	16	111.0584	3.384	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.0165	2.849	4	111.0165	8.117	4	111.0584	3.384	16	111.0584	3.384	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	110.9975	1.029	2	110.9975	1.059	2	111.0584	3.384	16	111.0584	3.384	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	110.8240	2.766	2	110.8240	7.652	2	111.0584	3.384	16	111.0584	3.384	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.7060	1.087	4	111.7060	1.181	4	111.0584	3.384	16	111.0584	3.384	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5505	3.050	2	110.5505	9.301	2	111.0584	3.384	16	111.0584	3.384	16	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-3:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:4:2:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H){1|C<4>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2035	0.218	2	111.2035	0.048	2	111.2035	0.048	2	111.2035	0.048	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:2:	4:4:2:2:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C-4:O[6]-2:N-2:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.0685	6.894	2	113.0685	47.522	2	113.0685	47.522	2	113.0685	47.522	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:N-3:C-3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CN)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CN){1|C<3>,2|H<1>}	110.9440	0.522	2	110.9440	0.272	2	110.9440	0.272	2	110.9440	0.272	2	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	113.4120	0.000	1	113.4120	0.000	1	113.1998	0.061	5	113.1998	0.061	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.1410	0.306	3	113.1467	0.063	4	113.1998	0.061	5	113.1998	0.061	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	2:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	113.1640	0.000	1	113.1467	0.063	4	113.1998	0.061	5	113.1998	0.061	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.6540	0.000	1	111.6540	0.000	1	111.1960	0.239	3	110.7955	1.692	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	110.6810	0.000	1	110.6810	0.000	1	111.1960	0.239	3	110.7955	1.692	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.2530	0.000	1	111.2530	0.000	1	111.1960	0.239	3	110.7955	1.692	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:Br-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.7955	1.692	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	110.7955	1.692	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	110.9870	2.123	3	110.9870	4.508	3	110.9870	4.508	3	110.7955	1.692	8	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-3:C-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	113.0360	1.671	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.0150	0.000	1	114.0150	0.000	1	113.6367	0.342	3	113.0360	1.671	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H){1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	113.4475	0.685	2	113.4475	0.469	2	113.6367	0.342	3	113.0360	1.671	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:2:4:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-3:C-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.0405	0.067	2	111.0405	0.005	2	111.0405	0.005	2	110.9333	0.037	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:2:4:	3:3:4:	C[6]-4:C[6a]-3:N-4:H-1:	C[6]-3:C-4:N[6]-2:O-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.9333	0.037	3	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C-4:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	109.4925	0.988	2	109.4925	0.976	2	109.4925	0.976	2	111.9040	5.892	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	114.2135	0.503	2	114.2135	0.253	2	114.2135	0.253	2	111.9040	5.892	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	111.9040	5.892	5	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6]CH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	109.6243	1.434	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	110.2410	0.000	1	110.2410	0.000	1	109.1663	0.893	3	109.6243	1.434	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	108.4640	0.000	1	108.6290	0.054	2	109.1663	0.893	3	109.6243	1.434	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	108.7940	0.000	1	108.6290	0.054	2	109.1663	0.893	3	109.6243	1.434	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:2:	3:4:4:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:C-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	109.9675	0.245	4	109.9675	0.060	4	109.9675	0.060	4	109.9675	0.060	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:2:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:O-2:	C[3x6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H){1|O<2>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	109.8830	7.419	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:2:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	108.3100	0.006	2	108.3100	0.000	2	108.5300	0.145	3	109.8830	7.419	4	113.2855	5.587	846	113.0955	6.714	985
490	466	643	0:SP3_SP2_SP3	C	C[6]	C[6a]	4:3:4:2:	4:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	108.9700	0.000	1	108.9700	0.000	1	108.5300	0.145	3	109.8830	7.419	4	113.2855	5.587	846	113.0955	6.714	985
490	466	658	0:SP3_SP3_SP3	C	C[3x6]	Si[6]	4:4:2:1:	4:4:4:4:	4:4:4:2:	C[3x6]-4:Si[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	Si[6]-4:Si[6]-4:C-4:O-2:	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO)	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC)	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO){3|C<4>,3|H<1>}	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC){1|Si<4>,4|C<4>}	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1
490	466	727	0:SP3_SP2_SP3	C	C[3x6]	C[5a]	3:4:4:2:	4:4:4:4:	3:2:4:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O)	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O){3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O){2|H<1>}	109.1760	0.240	2	109.1760	0.058	2	109.1760	0.058	2	109.3517	0.060	4	111.9953	18.451	6	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[3x6]	C[5a]	3:4:4:2:	4:4:4:4:	3:2:4:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CC[3x6]2O)	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O){3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(CC[3x6]2O){2|H<1>}	109.5275	0.006	2	109.5275	0.000	2	109.5275	0.000	2	109.3517	0.060	4	111.9953	18.451	6	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[3x6]	C[5a]	4:3:1:1:	3:4:3:4:	3:3:4:	C[3x6]-4:C[5a]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[3x6]HH)	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH){1|O<1>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[3x6]HH){1|H<1>}	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	111.9953	18.451	6	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[3x6]	C[5a]	4:3:2:1:	3:3:2:4:	3:3:4:	C[3x6]-4:C[5a]-3:O-2:H-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO){1|O<1>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO){2|C<3>,2|H<1>}	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	111.9953	18.451	6	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6,6]	C[5a]	4:3:1:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[5a]-3:H-1:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	118.3570	0.479	2	118.3570	0.230	2	118.3570	0.230	2	118.3570	0.230	2	118.3570	0.230	2	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H){2|H<1>,4|C<3>}	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	2:3:4:4:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	N[6]-2:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3){2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	114.2060	0.414	2	114.2060	0.172	2	114.2060	0.172	2	114.2060	0.172	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>}	114.2480	0.000	1	114.2480	0.000	1	114.2480	0.000	1	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[5a]HH)(H)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[6](C[6]O[6]O)2(CC[5a]HH)(H){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	115.1070	0.000	1	115.1070	0.000	1	115.1070	0.000	1	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	115.1470	0.000	1	115.1470	0.000	1	114.3343	1.452	10	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	115.5297	0.797	3	115.1908	0.883	4	114.3343	1.452	10	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|N<3>,2|C<3>}	114.1740	0.000	1	115.1908	0.883	4	114.3343	1.452	10	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	112.2810	0.000	1	112.2810	0.000	1	114.3343	1.452	10	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	113.4090	0.000	1	113.7880	0.473	4	114.3343	1.452	10	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	113.9143	0.783	3	113.7880	0.473	4	114.3343	1.452	10	114.3915	1.240	12	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:2:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:3:4:4:	3:2:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	114.8085	0.829	2	114.8085	0.688	2	114.8085	0.688	2	114.8085	0.688	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:4:2:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C-4:N[6]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:4:2:4:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C-4:N[6]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	113.9970	0.023	2	113.9970	0.001	2	112.7450	2.090	4	112.7450	2.090	4	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H){1|H<1>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,1|S<4>,2|C<3>}	111.4930	0.000	2	111.4930	0.000	2	112.7450	2.090	4	112.7450	2.090	4	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:1:	3:2:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	114.5040	0.000	1	114.5040	0.000	1	114.9050	0.322	2	114.9050	0.322	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:1:	3:2:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	115.3060	0.000	1	115.3060	0.000	1	114.9050	0.322	2	114.9050	0.322	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	111.6200	0.000	1	111.6200	0.000	1	111.6200	0.000	1	115.0920	4.176	8	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	118.1870	0.000	1	118.1870	0.000	1	118.1870	0.000	1	115.0920	4.176	8	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	114.9400	0.000	1	114.9400	0.000	1	115.1548	1.514	6	115.0920	4.176	8	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	114.4860	0.000	1	114.4860	0.000	1	115.1548	1.514	6	115.0920	4.176	8	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	115.3757	1.515	4	115.3757	2.294	4	115.1548	1.514	6	115.0920	4.176	8	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	117.0420	0.176	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:Si-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|C<4>,3|C<3>}	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	117.0420	0.176	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:4:2:1:	3:2:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	111.0010	1.407	2	111.0010	1.980	2	111.0010	1.980	2	111.0010	1.980	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:4:4:1:	3:2:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	113.3670	0.000	1	113.3670	0.000	1	113.3670	0.000	1	113.3670	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	119.0900	0.008	2	119.0900	0.000	2	119.0900	0.000	2	119.0900	0.000	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:2:1:	3:3:4:2:	3:3:4:	C[5a]-3:C[6]-4:S-2:H-1:	C[6]-3:N[6]-3:C-4:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS){2|C<3>,2|H<1>}	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:N-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN){1|C<4>,1|S<4>,2|C<3>}	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:2:1:	4:3:4:4:	3:3:4:	C[5a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	114.7180	0.000	1	114.7180	0.000	1	114.7180	0.000	1	114.7180	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5a]-3:C[6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH){1|H<1>,1|S<4>,2|C<3>}	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H){1|N<4>,4|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH){2|C<3>}	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:4:1:	4:3:4:1:	3:2:4:	C[5a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]CH)	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H){2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6]CH){2|H<1>}	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	111.0250	0.000	1	111.0250	0.000	1	111.5733	0.770	7	111.5733	0.770	7	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	112.2415	0.695	2	111.6647	0.854	6	111.5733	0.770	7	111.5733	0.770	7	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	111.2490	0.000	1	111.6647	0.854	6	111.5733	0.770	7	111.5733	0.770	7	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	112.7700	0.000	1	111.6647	0.854	6	111.5733	0.770	7	111.5733	0.770	7	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	110.7430	0.161	2	111.6647	0.854	6	111.5733	0.770	7	111.5733	0.770	7	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH){1|C<4>}	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	113.4795	0.810	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HH){1|H<1>}	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	113.4795	0.810	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:1:1:	3:3:4:2:	2:2:4:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	N[5a]-2:S[5a]-2:C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]HH){2|H<1>}	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:1:1:	3:3:4:2:	3:2:4:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5a]-3:O[5a]-2:C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH){1|C<4>}	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	114.6290	3.645	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:1:1:	3:3:4:2:	3:2:4:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5a]-3:S[5a]-2:C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6]HH){1|C<4>}	113.2790	0.000	1	113.2790	0.000	1	113.2790	0.000	1	114.6290	3.645	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[6]-4:C[5a]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH)	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH){1|H<1>,1|O<1>}	116.3640	0.000	1	116.3640	0.000	1	116.3640	0.000	1	116.3640	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:2:1:	3:4:4:4:	3:3:4:	C[6]-4:C[5a]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:2:1:	4:4:4:4:	3:3:4:	C[6]-4:C[5a]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO)	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(CC[6]HO){1|H<1>}	115.9245	1.091	2	115.9245	1.190	2	115.9245	1.190	2	115.9245	1.190	2	113.9036	4.464	65	113.8687	6.106	73
490	466	727	0:SP3_SP2_SP3	C	C[6]	C[5a]	4:3:4:1:	3:4:4:2:	2:2:4:	C[6]-4:C[5a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	N[5a]-2:S[5a]-2:C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]CH){1|C<3>,1|H<1>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	113.9036	4.464	65	113.8687	6.106	73
490	466	762	0:SP3_SP2_SP3	C	C[6,6]	C[6]	4:3:1:1:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6]-3:H-1:O-1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C-4:C[6]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	108.7196	2.348	17	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6,6]	C[6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6]-3:C-4:C[6]-3:	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	113.1420	0.000	1	113.1420	0.000	1	113.1420	0.000	1	113.1420	0.000	1	108.7196	2.348	17	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6,6]	C[6]	4:3:2:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6a]-3:C-4:C[6]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	108.0315	0.679	4	108.0315	0.462	4	108.4370	1.199	15	108.4370	1.199	15	108.7196	2.348	17	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6,6]	C[6]	4:3:2:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6a]-3:C-4:C[6]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	108.9100	0.000	1	108.6859	1.485	10	108.4370	1.199	15	108.4370	1.199	15	108.7196	2.348	17	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6,6]	C[6]	4:3:2:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6a]-3:C-4:C[6]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	108.6610	1.290	9	108.6859	1.485	10	108.4370	1.199	15	108.4370	1.199	15	108.7196	2.348	17	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6,6]	C[6]	4:3:2:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6a]-3:C-4:C[6]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5700	0.000	1	107.5700	0.000	1	108.4370	1.199	15	108.4370	1.199	15	108.7196	2.348	17	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	3:4:1:1:	4:4:4:1:	6:3:4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CC[6]HH){1|C<3>,2|C<4>,5|B<6>,5|H<1>}	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(OCoH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(OCoH){1|S<2>,4|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	115.9960	0.000	1	115.9960	0.000	1	116.0490	0.006	2	116.0490	0.006	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(ONiH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(ONiH){1|S<2>,4|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	116.1020	0.000	1	116.1020	0.000	1	116.0490	0.006	2	116.0490	0.006	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	3:2:4:1:	3:2:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	114.4950	0.007	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	114.4950	0.007	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	3:3:4:1:	3:4:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH){2|C<4>,3|H<1>}	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	3:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,1|O<2>,3|H<1>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	3:3:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C[6](C[6]C[6]O)2(CC[6]HH)	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	116.7430	2.201	3	116.7430	4.843	3	116.7430	4.843	3	116.7430	4.843	3	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:2:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[3,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	110.6740	1.322	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:2:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	110.6740	1.322	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH){2|H<1>,3|C<4>}	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	115.0656	5.255	5	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,2|H<1>,2|O<2>}	115.8040	0.000	1	115.8040	0.000	1	114.5640	5.329	4	115.0656	5.255	5	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	117.1430	0.000	1	115.1500	7.944	2	114.5640	5.329	4	115.0656	5.255	5	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,3|H<1>}	113.1570	0.000	1	115.1500	7.944	2	114.5640	5.329	4	115.0656	5.255	5	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:3:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	112.1520	0.000	1	112.1520	0.000	1	114.5640	5.329	4	115.0656	5.255	5	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:4:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:4:4:1:	4:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH){2|H<1>,3|C<4>}	115.2905	0.593	4	115.2905	0.351	4	115.2905	0.351	4	115.2905	0.351	4	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	C[6](C[5]C[5]2Ru)(C[6]C[6]HH)2(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	C[6](C[5]C[5]2Ru)(C[6]C[6]HH)2(CC[6]HH){3|C<4>,6|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	117.6040	0.000	1	117.6040	0.000	1	117.6040	0.000	1	118.2558	2.259	4	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	118.4730	1.762	3	118.4730	3.106	3	118.4730	3.106	3	118.2558	2.259	4	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:2:1:	3:2:4:1:	2:2:4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-3:C[6]-2:C-4:H-1:	C[6]-2:C[6]-2:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H)	C[6](C[6]C[6])2(CC[6]HS)	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H){1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CC[6]HS){1|C<2>}	115.6270	0.000	1	115.6270	0.000	1	115.6270	0.000	1	115.6270	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:2:1:	3:3:4:2:	3:3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO){1|H<1>,4|C<4>}	111.7130	1.390	2	111.7130	1.933	2	111.7130	1.933	2	111.7130	1.933	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:2:1:	4:2:4:1:	3:3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	C[6](C[6]C[6]H)2(CC[6]HO)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6]HO){1|C<3>,1|H<1>}	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:2:1:	4:2:4:4:	4:3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO){1|C<4>,4|H<1>}	116.2140	0.378	2	116.2140	0.143	2	116.2140	0.143	2	116.2140	0.143	2	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:3:1:	3:4:4:1:	4:3:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN){1|C<4>,4|H<1>}	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:4:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C[6](C[6]C[6]H)2(CC[6]CO)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(CC[6]CO){1|C<2>,2|H<1>}	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	762	0:SP3_SP2_SP3	C	C[6]	C[6]	4:3:4:2:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C[6](C[6]C[6]H)2(CC[6]CO)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(CC[6]CO){1|C<3>,1|H<1>}	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	114.9327	8.024	37	112.9767	14.643	54
490	466	770	0:SP3_SP2_SP3	C	C[6,6]	B	4:3:1:1:	4:4:4:4:	3:3:4:	C[6,6]-4:B-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH)	B(C[6a]C[6a]2)2(CC[6,6]HH)	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH){2|C<3>,2|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(CC[6,6]HH)	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	118.8025	37.715	2
490	466	770	0:SP3_SP2_SP3	C	C[6]	B	4:3:3:1:	4:4:4:1:	4:4:2:	C[6]-4:N-3:B-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	C[6](C[6]C[6]HH)2(CBHN)(H)	B(C[6]C[6]2H)(CC[6]HN)(OC)	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	C[6](C[6]C[6]HH)2(CBHN)(H){1|C<4>,4|H<1>}	B(C[6]C[6]2H)(CC[6]HN)(OC)	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	118.8025	37.715	2
490	466	786	0:SP3_SP3_SP3	C	C[6]	B[5,5]	4:4:3:1:	4:4:4:1:	4:2:2:4:	B[5,5]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H){1|C<4>,4|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1
490	466	790	0:SP3_SP-NON_SP3	C	C[6,6]	Cl	4:1:1:1:	4:3:4:2:	4:	C[6,6]-4:Cl-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	Cl(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	Cl(CC[6,6]HH)	113.2765	0.422	2	113.2765	0.178	2	113.2765	0.178	2	113.2765	0.178	2	112.0953	4.275	3	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C-4:Cl-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H)	Cl(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H){2|C<4>,4|H<1>}	Cl(CC[6,6]CH)	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	112.0953	4.275	3	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	2:2:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	O[6]-2:O[6]-2:C-4:H-1:	C-4:	C(C[6]O[6]2H)(Cl)3	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]O[6]2H)(Cl)3	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	Cl(CC[6]Cl2)	109.1847	1.353	3	109.1847	1.829	3	109.1847	1.829	3	109.1847	1.829	3	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	2:4:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H){2|C<3>}	Cl(CC[6]HH)	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:2:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6,6a]-3:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6,6a]O[6]H)(Cl)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[6,6a]O[6]H)(Cl)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	Cl(CC[6]Cl2)	110.0687	1.806	3	110.0687	3.263	3	110.0687	3.263	3	110.0687	3.263	3	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:2:4:2:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	N[3,6]-3:O[6]-2:C-4:C-2:	C-4:	C(C[6]N[3,6]O[6]C)(Cl)3	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN)	Cl(CC[6]Cl2)	C(C[6]N[3,6]O[6]C)(Cl)3	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN){1|C<3>,1|C<4>,4|H<1>}	Cl(CC[6]Cl2)	109.5558	0.681	6	109.5558	0.464	6	109.5558	0.464	6	109.5558	0.464	6	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:2:4:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	Cl(CC[6]HH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	Cl(CC[6]HH)	112.8120	0.000	1	113.0080	0.049	3	113.0080	0.049	3	113.0080	0.049	3	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:2:4:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	Cl(CC[6]HH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	Cl(CC[6]HH)	113.2490	0.000	1	113.0080	0.049	3	113.0080	0.049	3	113.0080	0.049	3	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:2:4:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	Cl(CC[6]HH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	Cl(CC[6]HH)	112.9630	0.000	1	113.0080	0.049	3	113.0080	0.049	3	113.0080	0.049	3	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(Cl)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[5a,6]N[6]H)(Cl)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	Cl(CC[6]Cl2)	110.4980	1.288	3	110.4980	1.660	3	110.6313	1.392	6	110.6233	2.418	15	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(Cl)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[5a,6]N[6]H)(Cl)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	Cl(CC[6]Cl2)	110.7647	1.329	3	110.7647	1.767	3	110.6313	1.392	6	110.6233	2.418	15	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(Cl)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[6,6a]N[6]H)(Cl)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	Cl(CC[6]Cl2)	111.6737	3.046	3	111.6737	9.280	3	111.6737	9.280	3	110.6233	2.418	15	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:4:1:	4:	C[6]-4:Cl-1:Cl-1:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]N[6]2H)(Cl)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	Cl(CC[6]ClH)	C(C[6]N[6]2H)(Cl)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	Cl(CC[6]ClH)	110.7005	1.440	2	110.7005	2.075	2	110.7005	2.075	2	110.6233	2.418	15	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	Cl(CC[6]HH)	109.7847	0.241	3	109.7847	0.058	3	109.7847	0.058	3	110.6233	2.418	15	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:3:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]N[6]2H)(Cl)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]N[6]2H)(Cl)(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	Cl(CC[6]HH)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	110.6233	2.418	15	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:4:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	Cl(CC[6]HH)	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	111.9775	0.389	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:4:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	Cl(CC[6]HH)	111.9180	0.144	2	111.9180	0.021	2	112.2083	0.263	3	111.9775	0.389	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:4:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(CC[6]HH)	112.7890	0.000	1	112.7890	0.000	1	112.2083	0.263	3	111.9775	0.389	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	3:4:4:2:	4:	C[6]-4:Cl-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C-4:	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	Cl(CC[6]HH)	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	Cl(CC[6]HH)	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[6]O[6]H)(Cl)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|H<1>,1|O<1>,2|C<4>}	Cl(CC[6]Cl2)	110.2333	1.052	6	110.0921	1.523	9	110.0921	1.523	9	110.6666	1.737	17	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[6]O[6]H)(Cl)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|O<1>,1|O<2>,2|C<4>}	Cl(CC[6]Cl2)	109.8097	1.773	3	110.0921	1.523	9	110.0921	1.523	9	110.6666	1.737	17	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,2|H<1>,2|O<2>}	Cl(CC[6]HH)	111.1833	0.857	4	111.1833	0.735	4	111.3129	1.328	8	110.6666	1.737	17	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H){1|S<4>,3|C<4>}	Cl(CC[6]HH)	110.7550	0.000	1	110.7550	0.000	1	111.3129	1.328	8	110.6666	1.737	17	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	Cl(CC[6]HH)	111.4460	0.000	1	111.6717	3.162	3	111.3129	1.328	8	110.6666	1.737	17	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,2|C<3>}	Cl(CC[6]HH)	113.5520	0.000	1	111.6717	3.162	3	111.3129	1.328	8	110.6666	1.737	17	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,3|C<4>}	Cl(CC[6]HH)	110.0170	0.000	1	111.6717	3.162	3	111.3129	1.328	8	110.6666	1.737	17	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:2:4:4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(Cl)2(H)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	Cl(CC[6]ClH)	C(C[6]C[6]O[6]C)(Cl)2(H)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Cl(CC[6]ClH)	110.6670	2.355	2	110.6670	5.544	2	110.6670	5.544	2	110.6670	5.544	2	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:2:4:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	Cl(CC[6]HH)	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	Cl(CC[6]HH)	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(Cl)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[6]N[6]H)(Cl)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	Cl(CC[6]Cl2)	111.1497	2.657	3	111.1497	7.061	3	110.6373	2.559	9	111.0767	2.822	13	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(Cl)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[6]N[6]H)(Cl)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Cl(CC[6]Cl2)	110.3812	1.017	6	110.3812	1.034	6	110.6373	2.559	9	111.0767	2.822	13	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	Cl(CC[6]HH)	112.9600	0.143	2	112.9600	0.020	2	112.0653	2.581	4	111.0767	2.822	13	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	Cl(CC[6]HH)	112.6740	0.000	1	112.6740	0.000	1	112.0653	2.581	4	111.0767	2.822	13	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	Cl(CC[6]HH)	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	Cl(CC[6]HH)	109.6670	0.000	1	109.6670	0.000	1	112.0653	2.581	4	111.0767	2.822	13	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:4:4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	Cl(CC[6]ClH)	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	Cl(CC[6]ClH)	112.4150	0.107	2	112.4150	0.012	2	113.1165	1.416	4	113.1165	1.416	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:3:4:4:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH)	Cl(CC[6]ClH)	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH){3|C<4>}	Cl(CC[6]ClH)	113.8180	1.506	2	113.8180	2.268	2	113.1165	1.416	4	113.1165	1.416	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:4:4:1:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(Cl)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	Cl(CC[6]Cl2)	C(C[6]C[6]2H)(Cl)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Cl(CC[6]Cl2)	111.1880	2.838	3	111.1880	8.057	3	111.1880	8.057	3	112.0390	5.740	5	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:4:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C-4:	C(C[6]C[6]2Cl)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl)	Cl(CC[6]HH)	C(C[6]C[6]2Cl)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl){1|C<4>,4|H<1>}	Cl(CC[6]HH)	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.0390	5.740	5	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:4:4:1:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C-4:	C(C[6]C[6]2F)(Cl)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	Cl(CC[6]HH)	C(C[6]C[6]2F)(Cl)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	Cl(CC[6]HH)	114.1570	0.000	1	114.1570	0.000	1	114.1570	0.000	1	112.0390	5.740	5	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:4:4:2:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(Cl)3	C[6](C[6]C[6]HH)2(CCl3)(OH)	Cl(CC[6]Cl2)	C(C[6]C[6]2O)(Cl)3	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	Cl(CC[6]Cl2)	111.5407	1.001	3	111.5407	1.003	3	111.5407	1.003	3	112.0429	0.814	7	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:4:4:2:	4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6,6]C[6]O)(Cl)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	Cl(CC[6]ClH)	C(C[6]C[6,6]C[6]O)(Cl)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	Cl(CC[6]ClH)	111.9810	0.373	2	111.9810	0.139	2	111.9810	0.139	2	112.0429	0.814	7	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:4:4:2:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	Cl(CC[6]HH)	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	Cl(CC[6]HH)	113.4270	0.000	1	113.4270	0.000	1	112.8580	0.648	2	112.0429	0.814	7	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:1:1:1:	4:4:4:2:	4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	Cl(CC[6]HH)	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	Cl(CC[6]HH)	112.2890	0.000	1	112.2890	0.000	1	112.8580	0.648	2	112.0429	0.814	7	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C-3:Cl-1:Cl-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	Cl(CC[6]ClC)	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(CC[6]ClC)	110.1740	0.383	2	110.1740	0.147	2	110.1740	0.147	2	110.1740	0.147	2	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:3:1:1:	3:4:3:3:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	Cl(CC[6a]C[6]H)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	Cl(CC[6a]C[6]H)	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C-4:C[6]-3:N[6]-3:H-1:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	Cl(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	Cl(CC[6a]C[6]H)	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C-3:Cl-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	Cl(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	Cl(CC[6]CH)	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	Cl(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|I<1>,2|H<1>,3|C<3>,3|C<4>}	Cl(CC[6a]C[6]H)	111.5300	0.000	1	111.5300	0.000	1	111.1960	0.223	2	111.1960	0.223	2	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	Cl(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	Cl(CC[6a]C[6]H)	110.8620	0.000	1	110.8620	0.000	1	111.1960	0.223	2	111.1960	0.223	2	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:4:1:1:	4:4:4:2:	4:	C[6]-4:S-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	C[6](C[6]C[6]HH)2(CClHS)(OH)	Cl(CC[6]HS)	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	C[6](C[6]C[6]HH)2(CClHS)(OH){1|C<4>,4|H<1>}	Cl(CC[6]HS)	111.2640	0.013	2	111.2640	0.000	2	111.2640	0.000	2	111.2640	0.000	2	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C-4:C-4:Cl-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	Cl(CC[6]CC)	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H){1|S<4>,2|C<3>,2|C<4>}	Cl(CC[6]CC)	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	Cl(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	Cl(CC[6]CC)	109.0900	0.000	1	109.0900	0.000	1	108.0715	3.047	4	108.0715	3.047	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H)	Cl(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(CC[6]CC)	105.4590	0.000	1	105.4590	0.000	1	108.0715	3.047	4	108.0715	3.047	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	Cl(CC[6]CC)	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	Cl(CC[6]CC)	108.9260	0.000	1	108.9260	0.000	1	108.0715	3.047	4	108.0715	3.047	4	110.8382	2.903	99	110.8752	2.947	102
490	466	790	0:SP3_SP-NON_SP3	C	C[6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H)	Cl(CC[6]CC)	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	Cl(CC[6]CC)	108.8110	0.000	1	108.8110	0.000	1	108.0715	3.047	4	108.0715	3.047	4	110.8382	2.903	99	110.8752	2.947	102
490	466	813	0:SP3_SP2_SP3	C	C[3x6]	N[5a]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5a]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5a]HH){3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	114.6050	0.143	2	114.6050	0.020	2	114.6050	0.020	2	114.6050	0.020	2	114.6050	0.020	2	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	2:4:4:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H){1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	112.7890	0.000	1	112.7890	0.000	1	113.0135	0.101	2	113.0135	0.101	2	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	2:4:4:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	113.2380	0.000	1	113.2380	0.000	1	113.0135	0.101	2	113.0135	0.101	2	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	2:4:4:1:	3:3:4:	N[5a]-3:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	112.6417	1.693	3	112.6417	2.867	3	112.6417	2.867	3	112.6417	2.867	3	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:2:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH){1|H<1>}	111.6195	0.612	2	111.6195	0.374	2	112.2399	0.618	9	112.2399	0.618	9	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:2:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	112.8055	0.552	4	112.8055	0.304	4	112.2399	0.618	9	112.2399	0.618	9	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:2:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	110.9870	0.000	1	111.6315	0.831	2	112.2399	0.618	9	112.2399	0.618	9	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:2:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	112.2760	0.000	1	111.6315	0.831	2	112.2399	0.618	9	112.2399	0.618	9	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:2:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	112.4350	0.000	1	112.4350	0.000	1	112.2399	0.618	9	112.2399	0.618	9	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	111.3367	1.709	3	111.3367	2.920	3	111.3367	2.920	3	111.3367	2.920	3	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:4:1:	2:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a]-2:N[5a]-2:C-4:	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	N[5a](N[5a]C[5a])2(CC[6]HH)	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H){1|C<4>,4|H<1>}	N[5a](N[5a]C[5a])2(CC[6]HH){1|C<2>,1|C<3>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:4:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H){1|C<4>,4|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH){1|C<3>,1|N<2>,1|O<2>}	112.3880	0.000	1	112.3880	0.000	1	112.5785	0.073	2	112.5785	0.073	2	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	3:4:1:1:	4:4:4:1:	3:2:4:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H){1|C<4>,4|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	112.7690	0.000	1	112.7690	0.000	1	112.5785	0.073	2	112.5785	0.073	2	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	4:3:1:1:	3:4:4:4:	3:3:4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	117.0450	0.000	1	117.0450	0.000	1	117.0450	0.000	1	117.0450	0.000	1	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	4:3:1:1:	4:2:4:1:	3:2:4:	C[6]-4:N[5a]-3:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H){2|C<4>,2|H<1>,2|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	110.7965	1.460	2	110.7965	2.132	2	110.7965	2.132	2	110.7965	2.132	2	112.4960	2.468	24	112.6582	2.600	26
490	466	813	0:SP3_SP2_SP3	C	C[6]	N[5a]	4:3:1:1:	4:4:4:4:	3:3:4:	C[6]-4:N[5a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	112.4960	2.468	24	112.6582	2.600	26
490	466	818	0:SP3_SP2_SP3	C	C[6]	C[5]	3:4:1:1:	3:3:4:1:	3:3:4:	C[5]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|N<3>,2|C<3>}	115.2660	0.000	1	115.2660	0.000	1	115.2660	0.000	1	115.2660	0.000	1	115.1427	3.665	7	115.1427	3.665	7
490	466	818	0:SP3_SP2_SP3	C	C[6]	C[5]	3:4:3:1:	4:4:4:1:	2:2:4:	C[5]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN)	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6]HH)2(CC[5]HN)(H){1|C<4>,4|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[6]HN){1|C<3>,1|C<4>,2|H<1>}	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	115.1427	3.665	7	115.1427	3.665	7
490	466	818	0:SP3_SP2_SP3	C	C[6]	C[5]	4:3:1:1:	3:3:4:1:	3:2:4:	C[6]-4:C[5]-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H)	C[5](N[5]C[5]Re)(O[5]C[5])(CC[6]HH)	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H){1|H<1>,2|C<3>}	C[5](N[5]C[5]Re)(O[5]C[5])(CC[6]HH){4|H<1>}	116.2055	1.063	2	116.2055	1.130	2	116.2055	1.130	2	116.2055	1.130	2	115.1427	3.665	7	115.1427	3.665	7
490	466	818	0:SP3_SP2_SP3	C	C[6]	C[5]	4:3:1:1:	3:3:4:1:	3:3:4:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH){2|H<1>}	113.4170	0.864	2	113.4170	0.747	2	113.4170	0.747	2	113.4170	0.747	2	115.1427	3.665	7	115.1427	3.665	7
490	466	818	0:SP3_SP2_SP3	C	C[6]	C[5]	4:3:1:1:	4:4:4:1:	4:2:4:	C[6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH)	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH){1|C<3>,1|H<1>}	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	115.1427	3.665	7	115.1427	3.665	7
490	466	830	0:SP3_SP-NON_SP3	C	C[3x6]	F	4:1:1:1:	3:4:3:4:	4:	C[3x6]-4:F-1:F-1:F-1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	F(CC[3x6]FF)	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	F(CC[3x6]FF)	111.5580	3.504	3	111.5580	12.280	3	111.5580	12.280	3	111.5580	12.280	3	112.1137	1.835	33	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[3x6]	F	4:1:1:1:	4:3:3:4:	4:	C[3x6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	F(CC[3x6]FF)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	F(CC[3x6]FF)	112.0763	0.907	12	112.1302	0.850	15	112.1302	0.850	15	112.1098	0.805	18	112.1137	1.835	33	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[3x6]	F	4:1:1:1:	4:3:3:4:	4:	C[3x6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C-4:	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	F(CC[3x6]FF)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	F(CC[3x6]FF)	112.3460	1.157	3	112.1302	0.850	15	112.1302	0.850	15	112.1098	0.805	18	112.1137	1.835	33	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[3x6]	F	4:1:1:1:	4:3:3:4:	4:	C[3x6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C-4:	C(C[3x6]C[6,6]2N[6,6])(F)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	F(CC[3x6]FF)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	F(CC[3x6]FF)	112.0080	0.933	3	112.0080	0.871	3	112.0080	0.871	3	112.1098	0.805	18	112.1137	1.835	33	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[3x6]	F	4:1:1:1:	4:4:3:4:	4:	C[3x6]-4:F-1:F-1:F-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[3x6]C[6,6]2N[6,6])(F)3	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	F(CC[3x6]FF)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	F(CC[3x6]FF)	111.7195	1.760	6	111.7195	3.099	6	111.7195	3.099	6	111.7195	3.099	6	112.1137	1.835	33	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[3x6]	F	4:1:1:1:	4:4:4:4:	4:	C[3x6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(C[3x6]C[6,6]3)(F)3	C[3x6](C[6,6]C[6,6]HH)3(CF3)	F(CC[3x6]FF)	C(C[3x6]C[6,6]3)(F)3	C[3x6](C[6,6]C[6,6]HH)3(CF3){1|C<4>,6|H<1>}	F(CC[3x6]FF)	112.7972	0.248	6	112.7972	0.061	6	112.7972	0.061	6	112.7972	0.061	6	112.1137	1.835	33	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6,6]	F	4:1:1:1:	3:2:2:4:	4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C-4:	C(C[6,6]C[6,6]O[6]2)(F)3	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	F(CC[6,6]FF)	C(C[6,6]C[6,6]O[6]2)(F)3	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	F(CC[6,6]FF)	111.4366	0.832	12	111.4366	0.692	12	111.4366	0.692	12	111.4321	0.979	15	111.6385	1.110	21	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6,6]	F	4:1:1:1:	3:2:2:4:	4:	C[6,6]-4:F-1:F-1:F-1:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C-4:	C(C[6,6]O[6,6]N[6]O[6])(F)3	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	F(CC[6,6]FF)	C(C[6,6]O[6,6]N[6]O[6])(F)3	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	F(CC[6,6]FF)	111.4143	1.746	3	111.4143	3.047	3	111.4143	3.047	3	111.4321	0.979	15	111.6385	1.110	21	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6,6]	F	4:1:1:1:	3:3:2:4:	4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C-4:	C-4:	C(C[6,6]C[6,6a]2O[6,6])(F)3	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3)	F(CC[6,6]FF)	C(C[6,6]C[6,6a]2O[6,6])(F)3	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3){2|C<4>,3|H<1>,4|C<3>}	F(CC[6,6]FF)	112.2537	1.617	3	112.2537	2.615	3	112.2537	2.615	3	112.2537	2.615	3	111.6385	1.110	21	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6,6]	F	4:1:1:1:	3:3:4:4:	4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C-4:	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	F(CC[6,6]FF)	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	F(CC[6,6]FF)	112.0550	0.701	3	112.0550	0.491	3	112.0550	0.491	3	112.0550	0.491	3	111.6385	1.110	21	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C[6]-4:C-4:F-1:	N[6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	F(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	F(CC[6a]C[6]C)	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	N[6]-2:N[6]-2:C-4:C-4:	C-4:	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6])2(CF3)2	F(CC[6]FF)	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6])2(CF3)2{1|C<4>,1|F<1>,1|N<2>}	F(CC[6]FF)	111.9443	1.621	3	111.9443	2.627	3	111.9443	2.627	3	111.9443	2.627	3	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:3:4:2:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-3:C-4:C-2:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC)	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC){1|H<1>,1|N<3>,2|C<3>}	F(CC[6]FF)	111.2723	0.808	3	111.2723	0.653	3	111.2723	0.653	3	111.4631	0.537	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:3:4:2:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-3:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	F(CC[6]FF)	111.5585	0.752	6	111.5585	0.565	6	111.5585	0.565	6	111.4631	0.537	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	F(CC[6]FF)	111.9653	1.796	3	111.9653	3.226	3	111.6521	2.055	18	111.6521	2.055	18	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	F(CC[6]FF)	111.8543	1.618	6	111.8543	2.618	6	111.6521	2.055	18	111.6521	2.055	18	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H){1|O<1>,2|C<3>}	F(CC[6]FF)	111.4129	1.339	9	111.4129	1.793	9	111.6521	2.055	18	111.6521	2.055	18	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH){1|O<1>,2|C<3>}	F(CC[6]FF)	111.5993	1.118	3	111.5993	1.250	3	111.5993	1.250	3	111.5993	1.250	3	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:4:4:4:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2{1|N<2>,1|O<2>,1|P<3>,2|C<4>}	F(CC[6]FF)	111.8407	1.154	6	111.8407	1.333	6	112.0529	2.018	30	112.0529	2.018	30	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:4:4:4:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	F(CC[6]FF)	111.9918	1.483	12	112.1059	2.240	24	112.0529	2.018	30	112.0529	2.018	30	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	2:4:4:4:	4:	C[6]-4:F-1:F-1:F-1:	O[6]-2:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|O<2>,2|C<4>,2|N<3>}	F(CC[6]FF)	112.2200	1.567	12	112.1059	2.240	24	112.0529	2.018	30	112.0529	2.018	30	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C-4:	C(C[6]C[6a]O[6]2)(F)3	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3)	F(CC[6]FF)	C(C[6]C[6a]O[6]2)(F)3	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3){2|C<3>,3|C<4>,4|H<1>}	F(CC[6]FF)	111.7920	0.708	6	111.7920	0.502	6	111.7920	0.502	6	111.5070	0.987	7	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:2:4:	4:	C[6]-4:F-1:H-1:H-1:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C-4:	C(C[6]C[6a]N[6]O[6])(F)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	F(CC[6]HH)	C(C[6]C[6a]N[6]O[6])(F)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	F(CC[6]HH)	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	111.5070	0.987	7	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6,6a]O[6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6a]O[6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	F(CC[6]FF)	112.0990	0.830	3	111.7194	0.665	12	111.7194	0.665	12	111.7194	0.665	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6,6a]O[6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6a]O[6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	F(CC[6]FF)	112.1440	0.232	3	111.7194	0.665	12	111.7194	0.665	12	111.7194	0.665	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6,6a]O[6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6a]O[6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	111.3173	0.881	6	111.7194	0.665	12	111.7194	0.665	12	111.7194	0.665	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:O[6]-2:C-4:C-2:	C-4:	C(C[6]C[6,6a]O[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	F(CC[6]FF)	C(C[6]C[6,6a]O[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	111.6538	0.618	6	111.6538	0.382	6	111.6538	0.382	6	111.5780	0.795	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-3:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	F(CC[6]FF)	111.4263	1.474	3	111.4263	2.172	3	111.4263	2.172	3	111.5780	0.795	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:3:	4:	C[6]-4:F-1:F-1:F-1:	N[6]-3:N[6]-2:C-4:C-3:	C-4:	C(C[6]N[6]2C)(F)3	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	F(CC[6]FF)	C(C[6]N[6]2C)(F)3	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	F(CC[6]FF)	111.7392	1.984	6	111.7392	3.936	6	111.7110	2.349	12	111.7110	2.349	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:3:	4:	C[6]-4:F-1:F-1:F-1:	N[6]-3:N[6]-2:C-4:C-3:	C-4:	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	F(CC[6]FF)	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	F(CC[6]FF)	111.5127	1.153	3	111.6828	1.229	6	111.7110	2.349	12	111.7110	2.349	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:3:	4:	C[6]-4:F-1:F-1:F-1:	N[6]-3:N[6]-2:C-4:C-3:	C-4:	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	F(CC[6]FF)	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	F(CC[6]FF)	111.8530	1.287	3	111.6828	1.229	6	111.7110	2.349	12	111.7110	2.349	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[5a]-3:S[6]-2:C[6]-4:C-4:	C-4:	C(C[6]C[5a]C[6]S[6])(F)3	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3)	F(CC[6]FF)	C(C[6]C[5a]C[6]S[6])(F)3	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	F(CC[6]FF)	112.1998	1.068	6	112.1998	1.141	6	112.1998	1.141	6	111.5579	1.751	35	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[6]-2:C-4:C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	F(CC[6]FF)	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	F(CC[6]FF)	111.7833	1.161	3	111.7833	1.349	3	111.7833	1.349	3	111.5579	1.751	35	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6,6a]O[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2	F(CC[6]FF)	C(C[6]C[6,6a]O[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	F(CC[6]FF)	111.5217	1.282	11	111.5217	1.645	11	111.5217	1.645	11	111.5579	1.751	35	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	F(CC[6]FF)	112.2357	1.150	3	112.2357	1.324	3	112.2357	1.324	3	111.5579	1.751	35	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	N[6]-3:N[6]-2:C-4:C-4:	C-4:	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2	F(CC[6]FF)	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2{1|O<1>,2|C<3>}	F(CC[6]FF)	111.0442	1.503	12	111.0442	2.260	12	111.0442	2.260	12	111.5579	1.751	35	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]C[6,6a]C[6a]O[6])(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	F(CC[6]FF)	111.3800	3.440	3	111.3800	11.833	3	111.3800	11.833	3	111.4966	2.123	18	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	F(CC[6]FF)	111.7788	1.074	6	111.6732	1.182	9	111.6732	1.182	9	111.4966	2.123	18	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	F(CC[6]FF)	111.4620	1.320	3	111.6732	1.182	9	111.6732	1.182	9	111.4966	2.123	18	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:2:4:	4:	C[6]-4:F-1:F-1:F-1:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C-4:	C(C[6]N[5a,6]C[5a]O[6])(F)3	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]N[5a,6]C[5a]O[6])(F)3	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	F(CC[6]FF)	111.2900	0.692	6	111.2900	0.479	6	111.2900	0.479	6	111.4966	2.123	18	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:3:4:	4:	C[6]-4:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[5a,6]C[5a]N[6])(F)3	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	F(CC[6]FF)	C(C[6]C[5a,6]C[5a]N[6])(F)3	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	F(CC[6]FF)	112.8360	0.915	3	112.8360	0.838	3	112.8360	0.838	3	112.1324	1.473	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:3:4:	4:	C[6]-4:F-1:F-1:F-1:	C[5a]-3:N[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[5a]C[6]N[6])(F)3	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3)	F(CC[6]FF)	C(C[6]C[5a]C[6]N[6])(F)3	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3){2|H<1>,4|C<3>}	F(CC[6]FF)	111.5543	2.284	3	111.5543	5.216	3	111.5543	5.216	3	112.1324	1.473	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:3:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6a]N[6])(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	F(CC[6]FF)	C(C[6]C[6,6a]C[6a]N[6])(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	F(CC[6]FF)	111.9383	1.124	3	111.9383	1.264	3	111.9383	1.264	3	112.1324	1.473	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:3:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6a]N[6]2)(F)3	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	F(CC[6]FF)	C(C[6]C[6a]N[6]2)(F)3	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	F(CC[6]FF)	111.8853	1.114	6	111.8853	1.240	6	111.8853	1.240	6	112.1324	1.473	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:3:4:	4:	C[6]-4:F-1:F-1:F-1:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6a]N[6])(F)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	F(CC[6]FF)	C(C[6]N[5a,6]C[6a]N[6])(F)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	F(CC[6]FF)	112.4137	1.018	6	112.4137	1.037	6	112.4137	1.037	6	112.1324	1.473	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C-4:	C(C[6]C[6,6a]2H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6a]2H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|C<4>,2|H<1>,4|C<3>}	F(CC[6]FF)	112.3315	0.867	15	112.3584	0.624	18	112.3584	0.624	18	112.2762	0.704	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C-4:	C(C[6]C[6,6a]2H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6a]2H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	F(CC[6]FF)	112.4930	0.115	3	112.3584	0.624	18	112.3584	0.624	18	112.2762	0.704	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:1:	4:	C[6]-4:F-1:F-1:F-1:	N[6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]N[6]2H)(F)3	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	F(CC[6]FF)	C(C[6]N[6]2H)(F)3	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	111.7827	1.143	3	111.7827	1.306	3	111.7827	1.306	3	112.2762	0.704	21	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C-4:	C(C[6]C[6,6a]2O)(F)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6,6a]2O)(F)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	F(CC[6]FF)	112.0093	0.044	3	112.0093	0.002	3	112.0093	0.002	3	111.7527	1.357	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[6]-3:C-4:O-2:	C-4:	C(C[6]C[6,6a]N[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	F(CC[6]FF)	C(C[6]C[6,6a]N[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	111.3520	1.362	6	111.3520	1.855	6	111.3520	1.855	6	111.7527	1.357	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-3:N[6]-3:C-4:O-2:	C-4:	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	F(CC[6]FF)	112.2973	1.341	3	112.2973	1.798	3	112.2973	1.798	3	111.7527	1.357	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:3:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C-4:	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	F(CC[6]FF)	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	112.0577	0.797	3	112.0577	0.636	3	112.0577	0.636	3	112.0577	0.636	3	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C-4:	C(C[6]C[5a,6]N[6]C)(F)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3)	F(CC[6]FF)	C(C[6]C[5a,6]N[6]C)(F)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3){1|C<4>,2|C<3>,3|H<1>}	F(CC[6]FF)	112.4177	0.263	3	112.4177	0.069	3	112.4177	0.069	3	112.2774	0.813	15	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	F(CC[6]FF)	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	F(CC[6]FF)	113.0257	0.631	3	113.0257	0.398	3	112.6368	0.482	6	112.2774	0.813	15	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	F(CC[6]FF)	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	112.2480	0.594	3	112.2480	0.352	3	112.6368	0.482	6	112.2774	0.813	15	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[6]-3:C-4:P-4:	C-4:	C(C[6]C[6,6a]N[6]P)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	F(CC[6]FF)	C(C[6]C[6,6a]N[6]P)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	111.7270	1.398	3	111.7270	1.955	3	111.7270	1.955	3	112.2774	0.813	15	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:3:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-3:N[6]-3:C-4:C-4:	C-4:	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3)	F(CC[6]FF)	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	F(CC[6]FF)	111.9687	1.203	3	111.9687	1.447	3	111.9687	1.447	3	112.2774	0.813	15	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	F(CC[6]FF)	111.7910	1.298	6	112.1861	1.193	12	112.1861	1.193	12	112.1861	1.193	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	F(CC[6]FF)	112.5812	0.752	6	112.1861	1.193	12	112.1861	1.193	12	112.1861	1.193	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:3:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C-4:	C(C[6]C[6a]C[6]N[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]N[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	F(CC[6]FF)	112.0832	2.054	6	112.0832	4.218	6	112.0832	4.218	6	112.0832	4.218	6	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(F)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[5a,6]C[6]H)(F)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	F(CC[6]FF)	113.3527	1.487	3	113.3527	2.212	3	113.3527	2.212	3	112.2326	1.487	27	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[6]C[6,6a]C[5,6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6a]C[5,6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	F(CC[6]FF)	112.4470	0.796	3	112.4470	0.633	3	112.4470	0.633	3	112.2326	1.487	27	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6,6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6a]C[6,6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	F(CC[6]FF)	112.6727	1.307	3	112.6727	1.707	3	112.6727	1.707	3	112.2326	1.487	27	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|O<2>}	F(CC[6]FF)	111.6893	0.700	3	112.0497	1.039	6	112.3420	1.011	9	112.2326	1.487	27	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|S<2>}	F(CC[6]FF)	112.4100	1.311	3	112.0497	1.039	6	112.3420	1.011	9	112.2326	1.487	27	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,2|C<3>,3|H<1>}	F(CC[6]FF)	112.9267	0.822	3	112.9267	0.676	3	112.3420	1.011	9	112.2326	1.487	27	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	N[6]-3:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(F)3	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]N[6]H)(F)3	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	F(CC[6]FF)	111.5318	1.248	9	111.5318	1.557	9	111.5318	1.557	9	112.2326	1.487	27	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[5a,6]C[6]O)(F)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[5a,6]C[6]O)(F)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	F(CC[6]FF)	112.1197	1.102	3	112.1197	1.214	3	112.1197	1.214	3	112.1447	0.756	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6,6a]C[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6,6a]C[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	F(CC[6]FF)	112.3200	0.954	3	112.3200	0.911	3	112.1572	0.723	6	112.1447	0.756	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	3:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6,6a]C[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6,6a]C[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[6]FF)	111.9943	0.905	3	111.9943	0.818	3	112.1572	0.723	6	112.1447	0.756	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(F)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[5,6]O[6]H)(F)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	F(CC[6]FF)	113.3903	1.632	3	112.5322	3.085	12	112.5322	3.085	12	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(F)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[5,6]O[6]H)(F)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	F(CC[6]FF)	112.2461	1.791	9	112.5322	3.085	12	112.5322	3.085	12	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	F(CC[6]FF)	112.2677	1.544	3	112.2677	2.383	3	112.0993	1.581	21	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	F(CC[6]FF)	112.1912	1.416	9	112.1912	2.006	9	112.0993	1.581	21	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	F(CC[6]FF)	111.8250	0.895	6	111.8250	0.801	6	112.0993	1.581	21	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H){1|C<3>,3|C<4>,3|H<1>}	F(CC[6]FF)	112.2037	1.754	3	112.2037	3.078	3	112.0993	1.581	21	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:O-1:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O){1|O<2>,4|C<4>}	F(CC[6]FF)	112.1840	1.683	3	112.1840	2.833	3	112.1840	2.833	3	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:S[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]S[6]H)(F)3	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]S[6]H)(F)3	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	F(CC[6]FF)	111.5462	1.545	6	111.5462	2.387	6	111.5462	2.387	6	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:1:	4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(F)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	F(CC[6]HH)	C(C[6]C[6]O[6]H)(F)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H){1|C<4>,2|H<1>,2|O<2>}	F(CC[6]HH)	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	112.0827	2.270	43	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[3,6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[3,6]O[6]O)(F)3	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[3,6]O[6]O)(F)3	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	F(CC[6]FF)	112.1105	1.653	6	112.1105	2.734	6	112.1105	2.734	6	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[5,6]O[6]O)(F)3	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[5,6]O[6]O)(F)3	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	F(CC[6]FF)	111.7753	2.159	3	111.7753	4.661	3	111.7753	4.661	3	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH){1|H<1>,1|O<2>,2|C<3>}	F(CC[6]FF)	111.5077	1.297	3	111.5077	1.683	3	111.7034	0.907	41	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>,2|H<1>}	F(CC[6]FF)	111.4030	1.442	3	111.4030	2.079	3	111.7034	0.907	41	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	F(CC[6]FF)	112.0972	1.190	12	111.7459	0.833	35	111.7034	0.907	41	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	F(CC[6]FF)	111.5592	0.881	6	111.7459	0.833	35	111.7034	0.907	41	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|O<2>,4|C<4>}	F(CC[6]FF)	111.4075	0.501	11	111.7459	0.833	35	111.7034	0.907	41	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){2|C<4>,3|H<1>}	F(CC[6]FF)	111.8503	0.818	6	111.7459	0.833	35	111.7034	0.907	41	111.7566	1.228	50	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<2>,3|C<3>}	F(CC[6]FF)	111.9374	1.501	12	112.0741	1.772	36	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	F(CC[6]FF)	112.0278	1.481	12	112.0741	1.772	36	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	F(CC[6]FF)	112.2400	0.942	6	112.0741	1.772	36	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,2|C<3>,2|H<1>}	F(CC[6]FF)	112.2740	1.266	6	112.0741	1.772	36	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){1|O<1>,1|O<2>,3|C<4>}	F(CC[6]FF)	111.5183	1.709	3	111.7729	2.048	15	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){2|O<2>,3|C<4>}	F(CC[6]FF)	111.8366	1.433	12	111.7729	2.048	15	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2{1|N<3>,1|O<2>,2|C<4>}	F(CC[6]FF)	112.2668	1.378	6	112.2668	1.899	6	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	F(CC[6]FF)	111.7632	1.373	6	111.7632	1.884	6	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	F(CC[6]FF)	111.6487	1.226	6	111.6487	1.502	6	111.9613	1.757	69	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:2:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:S[6]-2:C-4:C-4:	C-4:	C(C[6]C[6]S[6]C)(F)3	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2	F(CC[6]FF)	C(C[6]C[6]S[6]C)(F)3	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	F(CC[6]FF)	111.6168	0.686	11	111.6168	0.470	11	111.6168	0.470	11	111.9140	1.586	80	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	F(CC[6]FF)	111.5617	0.886	3	111.5617	0.784	3	111.5410	0.962	6	111.5410	0.962	6	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:2:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	F(CC[6]FF)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	F(CC[6]FF)	111.5203	1.273	3	111.5203	1.620	3	111.5410	0.962	6	111.5410	0.962	6	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:3:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6a]C[6])(F)3	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	F(CC[6]FF)	C(C[6]C[6,6]C[6a]C[6])(F)3	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	F(CC[6]FF)	112.3653	1.815	3	112.3653	3.292	3	112.3653	3.292	3	112.3653	3.292	3	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	F(CC[6]FF)	112.6300	0.361	3	112.6300	0.130	3	112.6300	0.130	3	112.5237	3.276	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(F)3	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]N[6]H)(F)3	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	F(CC[6]FF)	112.2957	2.534	3	112.2957	6.420	3	112.4882	4.466	9	112.5237	3.276	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(F)3	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]N[6]H)(F)3	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H){1|H<1>,3|C<3>}	F(CC[6]FF)	112.5845	2.132	6	112.5845	4.544	6	112.4882	4.466	9	112.5237	3.276	12	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:C-4:O-2:	C-4:	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	F(CC[6]FF)	111.6920	0.732	36	111.6758	0.452	45	111.6758	0.452	45	111.6758	0.452	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:C-4:O-2:	C-4:	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	F(CC[6]FF)	111.6109	0.366	9	111.6758	0.452	45	111.6758	0.452	45	111.6758	0.452	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:3:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:C-4:C-4:	C-4:	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2	F(CC[6]FF)	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2{2|C<3>,2|H<1>}	F(CC[6]FF)	111.9482	1.389	6	111.9482	1.929	6	111.9482	1.929	6	111.9482	1.929	6	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:3:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:S[6]-3:C-4:	C-4:	C(C[6]C[6]2S[6])(F)3	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3)	F(CC[6]FF)	C(C[6]C[6]2S[6])(F)3	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3){2|C<3>,2|C<4>,4|H<1>}	F(CC[6]FF)	112.4750	1.930	3	112.4750	3.727	3	112.4750	3.727	3	112.4750	3.727	3	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(F)3	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[5,6]C[6]H)(F)3	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	F(CC[6]FF)	112.7773	2.620	3	112.7773	6.865	3	112.7773	6.865	3	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(F)3	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6,6]C[6]H)(F)3	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,3|C<3>,4|H<1>}	F(CC[6]FF)	113.0140	1.204	3	113.0140	1.449	3	113.0140	1.449	3	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	F(CC[6]FF)	113.0370	2.231	3	113.0370	4.978	3	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	F(CC[6]FF)	113.1850	1.119	6	113.1850	1.251	6	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H){1|C<3>,1|C<4>,1|S<4>}	F(CC[6]FF)	112.7843	1.366	3	112.7843	1.865	3	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	F(CC[6]FF)	112.4187	1.253	6	112.4830	0.621	24	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	F(CC[6]FF)	112.5044	0.614	18	112.4830	0.621	24	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	F(CC[6]FF)	112.9160	0.460	3	112.9160	0.211	3	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)2(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)2(CF3)(H){1|C<4>,4|H<1>}	F(CC[6]FF)	112.6507	0.361	3	112.6993	0.107	6	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)2(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)2(CF3)(H){1|N<3>,4|H<1>}	F(CC[6]FF)	112.7480	0.361	3	112.6993	0.107	6	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	F(CC[6]FF)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H){2|C<4>,3|C<3>}	F(CC[6]FF)	112.5702	0.836	6	112.5702	0.699	6	112.6771	0.836	51	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:1:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-1:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]FF)2(CF3)(O)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]FF)2(CF3)(O){1|C<4>,4|F<1>}	F(CC[6]FF)	112.5187	3.233	6	112.5187	10.453	6	112.5187	10.453	6	112.6828	1.794	63	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	F(CC[6]FF)	111.6267	1.127	3	111.6267	1.270	3	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]FF)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]FF)2(CF3)(OH){1|C<4>,4|F<1>}	F(CC[6]FF)	111.0677	2.438	9	111.0677	5.944	9	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	F(CC[6]FF)	112.7290	1.385	3	112.7290	1.919	3	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OC)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	F(CC[6]FF)	111.8153	2.116	3	111.8153	4.477	3	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	F(CC[6]FF)	112.1693	1.275	3	111.9906	0.472	27	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	F(CC[6]FF)	112.3020	0.101	3	111.9906	0.472	27	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	F(CC[6]FF)	112.4617	0.674	3	111.9906	0.472	27	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,4|H<1>}	F(CC[6]FF)	111.9773	0.335	3	111.9906	0.472	27	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	F(CC[6]FF)	112.2480	0.572	3	111.9906	0.472	27	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	F(CC[6]FF)	112.3913	0.234	3	111.9906	0.472	27	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:2:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH)	F(CC[6]FF)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	F(CC[6]FF)	111.4552	0.591	9	111.9906	0.472	27	111.8193	1.901	45	111.8193	1.901	45	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:3:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:N-3:	C-4:	C(C[6]C[6]2N)(F)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	F(CC[6]FF)	C(C[6]C[6]2N)(F)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	F(CC[6]FF)	111.7512	1.430	12	111.7512	2.044	12	111.7512	2.044	12	111.6019	1.874	14	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:3:	4:	C[6]-4:F-1:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:	C(C[6]C[6]2C)(F)2(H)	C[6](C[6]C[6]HH)2(CFFH)(COO)	F(CC[6]FH)	C(C[6]C[6]2C)(F)2(H)	C[6](C[6]C[6]HH)2(CFFH)(COO){1|C<4>,4|H<1>}	F(CC[6]FH)	110.7065	0.093	2	110.7065	0.009	2	110.7065	0.009	2	111.6019	1.874	14	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:4:	4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]2C)(F)3	C[6](C[6]C[6]HH)2(CFHH)(CF3)	F(CC[6]FF)	C(C[6]C[6]2C)(F)3	C[6](C[6]C[6]HH)2(CFHH)(CF3){1|C<4>,4|H<1>}	F(CC[6]FF)	112.6807	0.414	3	112.6807	0.171	3	112.6807	0.171	3	111.2262	1.752	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:4:	4:	C[6]-4:F-1:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]2C)(F)2(H)	C[6](C[6]C[6]HH)2(CFFH)(CFHH)	F(CC[6]FH)	C(C[6]C[6]2C)(F)2(H)	C[6](C[6]C[6]HH)2(CFFH)(CFHH){1|C<4>,4|H<1>}	F(CC[6]FH)	110.9660	0.136	2	110.9660	0.018	2	110.9660	0.018	2	111.2262	1.752	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:4:	4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	F(CC[6]HH)	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	F(CC[6]HH)	109.8540	1.047	2	109.8540	1.095	2	110.2655	1.160	4	111.2262	1.752	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:4:	4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6]HH)2(CFFH)(CFHH)	F(CC[6]HH)	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6]HH)2(CFFH)(CFHH){1|C<4>,4|H<1>}	F(CC[6]HH)	109.7530	0.000	1	109.7530	0.000	1	110.2655	1.160	4	111.2262	1.752	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:1:1:1:	4:4:4:4:	4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6]HH)2(CFHH)(CF3)	F(CC[6]HH)	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6]HH)2(CFHH)(CF3){1|C<4>,4|H<1>}	F(CC[6]HH)	111.6010	0.000	1	111.6010	0.000	1	110.2655	1.160	4	111.2262	1.752	9	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C-3:F-1:F-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	F(CC[6]CF)	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	F(CC[6]CF)	108.9845	0.378	2	108.9845	0.143	2	108.9845	0.143	2	109.7660	2.056	4	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C-3:F-1:F-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	F(CC[6]CF)	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	F(CC[6]CF)	110.5475	1.893	2	110.5475	3.583	2	110.5475	3.583	2	109.7660	2.056	4	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	3:3:4:4:	4:	C[6]-4:C-3:F-1:F-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	F(CC[6]CF)	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	F(CC[6]CF)	109.7265	1.049	2	109.7265	1.100	2	109.7265	1.100	2	109.7265	1.100	2	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C-3:F-1:F-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C-4:	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	F(CC[6]CF)	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	F(CC[6]CF)	109.3005	0.501	2	109.3005	0.251	2	109.3005	0.251	2	109.3005	0.251	2	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C-3:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(COO)(F)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	F(CC[6]CF)	C(C[6]C[6]O[6]H)(COO)(F)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H){1|O<2>,2|C<4>,2|H<1>}	F(CC[6]CF)	110.2620	2.103	2	110.2620	4.422	2	110.2620	4.422	2	109.0087	6.924	3	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C-3:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCH)(F)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	F(CC[6]CH)	C(C[6]C[6]O[6]H)(CCH)(F)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H){1|O<2>,2|C<4>,2|H<1>}	F(CC[6]CH)	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	109.0087	6.924	3	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCF)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	F(CC[6]CF)	C(C[6]C[6]2H)(CCF)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	F(CC[6]CF)	109.8490	2.720	2	109.8490	7.396	2	109.9110	3.698	4	109.1235	3.797	6	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CClC)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	F(CC[6]CF)	C(C[6]C[6]2H)(CClC)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	F(CC[6]CF)	109.9730	1.919	2	109.9730	3.683	2	109.9110	3.698	4	109.1235	3.797	6	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C-3:F-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCH)(F)(H)	C[6](C[6]C[6]HH)2(CCFH)(H)	F(CC[6]CH)	C(C[6]C[6]2H)(CCH)(F)(H)	C[6](C[6]C[6]HH)2(CCFH)(H){1|N<3>,4|H<1>}	F(CC[6]CH)	107.5485	0.668	2	107.5485	0.447	2	107.5485	0.447	2	109.1235	3.797	6	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:4:1:1:	3:2:4:2:	4:	C[6]-4:C-4:F-1:F-1:	C[6,6a]-3:O[6]-2:C-4:O-2:	C-4:	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	F(CC[6]CF)	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	F(CC[6]CF)	109.1365	0.483	2	109.1365	0.233	2	109.1365	0.233	2	109.1365	0.233	2	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:4:1:1:	3:3:2:4:	4:	C[6]-4:C-4:F-1:F-1:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C-4:	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	F(CC[6]CF)	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	F(CC[6]CF)	108.3470	0.598	2	108.3470	0.358	2	108.3470	0.358	2	108.3470	0.358	2	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C-4:F-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	F(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H){1|C<3>,3|H<1>}	F(CC[6]CH)	105.5150	0.000	1	105.5150	0.000	1	105.5150	0.000	1	105.5150	0.000	1	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCFH)(F)(H)	C[6](C[6]C[6]HH)2(CCFH)(H)	F(CC[6]CH)	C(C[6]C[6]2H)(CCFH)(F)(H)	C[6](C[6]C[6]HH)2(CCFH)(H){1|C<4>,4|H<1>}	F(CC[6]CH)	107.5290	0.629	2	107.5290	0.396	2	107.5290	0.396	2	107.5290	0.396	2	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C-4:C-4:F-1:	N[6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6]N[6]2H)(CH3)2(F)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	F(CC[6]CC)	C(C[6]N[6]2H)(CH3)2(F)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	F(CC[6]CC)	104.1860	0.000	1	104.1860	0.000	1	104.1860	0.000	1	104.1860	0.000	1	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	F(CC[6]CC)	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	F(CC[6]CC)	104.3660	0.000	1	104.3660	0.000	1	104.4280	0.008	2	104.4280	0.008	2	111.8073	2.237	689	111.8161	2.188	743
490	466	830	0:SP3_SP-NON_SP3	C	C[6]	F	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6]HH)2(CCCF)(H)	F(CC[6]CC)	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	F(CC[6]CC)	104.4900	0.000	1	104.4900	0.000	1	104.4280	0.008	2	104.4280	0.008	2	111.8073	2.237	689	111.8161	2.188	743
490	466	854	0:SP3_SP3_SP3	C	C[6]	N[6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	114.8690	1.177	2	114.8690	1.177	2
490	466	854	0:SP3_SP3_SP3	C	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|N<3>,4|H<1>}	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	114.8690	1.177	2	114.8690	1.177	2
490	466	856	0:SP3_SP2_SP3	C	C[6]	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){1|S<2>,2|H<1>,4|C<3>}	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	112.1630	6.403	5	112.1630	6.403	5
490	466	856	0:SP3_SP2_SP3	C	C[6]	N[6]	3:4:1:1:	4:4:4:1:	3:4:4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[6]HH)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[6]HH)(H){1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	112.1630	6.403	5	112.1630	6.403	5
490	466	856	0:SP3_SP2_SP3	C	C[6]	N[6]	4:3:1:1:	4:2:4:1:	3:3:4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	N[6](C[6]C[6]H)2(CC[6]HH)	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	110.8600	2.137	2	110.8600	4.566	2	110.8600	4.566	2	110.8600	4.566	2	112.1630	6.403	5	112.1630	6.403	5
490	466	856	0:SP3_SP2_SP3	C	C[6]	N[6]	4:3:1:1:	4:4:4:1:	4:3:4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	112.1630	6.403	5	112.1630	6.403	5
490	466	856	0:SP3_SP3_SP3	C	C[6]	N[6]	3:4:3:1:	4:4:3:1:	4:4:4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	113.7198	7.869	4	113.7198	7.869	4
490	466	856	0:SP3_SP3_SP3	C	C[6]	N[6]	4:3:1:1:	4:2:4:2:	4:4:4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	N[6](C[6]C[6]HH)2(CC[6]HH)	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	113.7198	7.869	4	113.7198	7.869	4
490	466	856	0:SP3_SP3_SP3	C	C[6]	N[6]	4:3:1:1:	4:4:4:2:	4:4:4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	N[6](C[6]C[6]HH)2(CC[6]HH)	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	116.1210	0.412	2	116.1210	0.169	2	116.1210	0.169	2	116.1210	0.169	2	113.7198	7.869	4	113.7198	7.869	4
490	466	863	0:SP3_SP2_SP3	C	C[6,6]	O	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:O-1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	O(CC[6,6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	O(CC[6,6]C[6]H)	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	112.2530	0.026	2	112.2530	0.026	2	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6,6]	O	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:H-1:O-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.2530	0.026	2	112.2530	0.026	2	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:1:1:1:	4:2:4:1:	4:	C[6]-4:H-1:H-1:O-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(H)2(O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)	C(C[6]C[6]O[6]H)(H)2(O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(CC[6]HH)	111.6780	0.000	1	111.6780	0.000	1	111.6931	3.041	14	111.6931	3.041	14	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:1:1:1:	4:2:4:1:	4:	C[6]-4:H-1:H-1:O-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(H)2(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)	C(C[6]C[6]O[6]H)(H)2(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(CC[6]HH)	111.6942	1.815	13	111.6942	3.294	13	111.6931	3.041	14	111.6931	3.041	14	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:1:1:1:	4:4:4:1:	4:	C[6]-4:H-1:H-1:O-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(CC[6]HH)	C(C[6]C[6]2H)(H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	O(CC[6]HH)	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:1:1:1:	4:4:4:3:	4:	C[6]-4:H-1:H-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	C-4:	C(C[6]C[6]2N)(H)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	O(CC[6]HH)	C(C[6]C[6]2N)(H)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	O(CC[6]HH)	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:3:1:1:	2:3:4:1:	4:	C[6]-4:C[6a]-3:H-1:O-1:	N[6]-2:C[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	O(CC[6a]C[6]H)	107.9242	0.460	5	107.9242	0.212	5	107.9242	0.212	5	107.9242	0.212	5	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6a]-3:H-1:O-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	O(CC[6a]C[6]H)	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	O(CC[6a]C[6]H)	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C-3:H-1:O-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	O(CC[6]CH)	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	O(CC[6]2C)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	O(CC[6]2C)	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	110.5781	4.619	27	110.6937	4.476	29
490	466	863	0:SP3_SP2_SP3	C	C[6]	O	4:4:1:1:	2:3:4:1:	4:	C[6]-4:C-4:H-1:O-1:	N[6]-2:C[6]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	O(CC[6]CH)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	O(CC[6]CH)	111.2910	1.009	3	111.2910	1.019	3	111.2910	1.019	3	111.2910	1.019	3	110.5781	4.619	27	110.6937	4.476	29
490	466	880	0:SP3_SP3_SP3	C	C[3x6]	Si	4:4:2:1:	4:4:4:4:	4:4:4:2:	C[3x6]-4:Si-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:Si-4:Si-4:O-2:	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSiHO)	Si(CC[3x6]HO)(SiSiCC)(SiC3)(OC)	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSiHO){3|C<4>,3|H<1>}	Si(CC[3x6]HO)(SiSiCC)(SiC3)(OC)	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6,6]	Si	4:4:1:1:	4:4:4:2:	4:4:4:4:	C[6,6]-4:Si-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C(C[6,6]C[6,6]2O)(SiC3)(H)2	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	Si(CC[6,6]HH)(CH3)3	C(C[6,6]C[6,6]2O)(SiC3)(H)2	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	Si(CC[6,6]HH)(CH3)3	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	3:3:4:4:	4:4:3:1:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6]-4:Si-4:	C[6]-4:C-4:C[6]-3:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H)	Si(CC[6a]2C[6])(CH3)3	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	Si(CC[6a]2C[6])(CH3)3	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:1:1:	3:3:4:1:	4:4:4:4:	C[6]-4:Si-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	Si(CC[6]HH)(CH3)3	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	Si(CC[6]HH)(CH3)3	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:1:1:	3:4:4:1:	4:4:4:4:	C[6]-4:Si-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6]C[6]N[6]H)(SiC3)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	Si(CC[6]HH)(CH3)3	C(C[6]C[6]N[6]H)(SiC3)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H){1|H<1>,2|C<3>}	Si(CC[6]HH)(CH3)3	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:1:1:	4:3:4:1:	3:3:4:4:	C[6]-4:Si-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	Si(C[6a]C[6a]2)2(CC[6]HH)(CC3)	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	Si(C[6a]C[6a]2)2(CC[6]HH)(CC3)	121.6980	0.000	1	121.6980	0.000	1	121.6980	0.000	1	121.6980	0.000	1	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[6]-4:Si-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	Si(CC[6]HH)(CH3)3	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	Si(CC[6]HH)(CH3)3	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:4:1:	2:2:4:1:	4:4:4:4:	C[6]-4:Si-4:Si-4:H-1:	N[6]-2:N[6]-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6]N[6]2H)(SiC3)2(H)	C[6](N[6]C[6])2(CSi2H)(H)	Si(CC[6]SiH)(CH3)3	C(C[6]N[6]2H)(SiC3)2(H)	C[6](N[6]C[6])2(CSi2H)(H){1|N<2>,2|H<1>}	Si(CC[6]SiH)(CH3)3	111.5380	3.541	2	111.8847	7.484	4	111.8847	7.484	4	111.8847	7.484	4	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:4:1:	2:2:4:1:	4:4:4:4:	C[6]-4:Si-4:Si-4:H-1:	N[6]-2:N[6]-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6]N[6]2H)(SiC3)2(H)	C[6](N[6]C[6])2(CSi2H)(H)	Si(CC[6]SiH)(CH3)3	C(C[6]N[6]2H)(SiC3)2(H)	C[6](N[6]C[6])2(CSi2H)(H){1|N<3>,2|H<1>}	Si(CC[6]SiH)(CH3)3	112.2315	3.071	2	111.8847	7.484	4	111.8847	7.484	4	111.8847	7.484	4	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:4:1:	3:3:4:1:	3:3:4:4:	C[6]-4:Si-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	Si(C[6a]C[6a]2)2(CC[6]CH)(CC3)	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)2(CC[6]CH)(CC3)	117.3070	0.133	2	117.3070	0.018	2	117.3070	0.018	2	117.3070	0.018	2	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:4:1:	3:4:4:1:	4:4:4:4:	C[6]-4:Si-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6]C[6,6a]C[6]H)(SiC3)2(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	Si(CC[6]SiH)(CH3)3	C(C[6]C[6,6a]C[6]H)(SiC3)2(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	Si(CC[6]SiH)(CH3)3	116.0155	0.633	2	116.0155	0.401	2	116.0155	0.401	2	116.0155	0.401	2	115.5697	24.033	15	116.1295	23.526	17
490	466	880	0:SP3_SP3_SP3	C	C[6]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:Si-4:Si-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6]C[6]2H)(SiC3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	Si(CC[6]SiH)(CCHH)3	C(C[6]C[6]2H)(SiC3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	Si(CC[6]SiH)(CCHH)3	114.4655	9.411	2	114.4655	88.565	2	114.4655	88.565	2	114.4655	88.565	2	115.5697	24.033	15	116.1295	23.526	17
490	466	887	0:SP3_SP3_SP3	C	C[6]	S	4:3:1:1:	2:4:4:4:	3:4:1:	C[6]-4:S-3:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS)	S(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)(O)	112.9580	2.148	2	112.9580	4.615	2	112.9580	4.615	2	112.9580	4.615	2	112.0223	4.001	7	112.0223	4.001	7
490	466	887	0:SP3_SP3_SP3	C	C[6]	S	4:3:1:1:	3:2:4:1:	3:4:1:	C[6]-4:S-3:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	S(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)(O)	109.7330	1.287	2	109.7330	1.656	2	109.7330	1.656	2	109.7330	1.656	2	112.0223	4.001	7	112.0223	4.001	7
490	466	887	0:SP3_SP3_SP3	C	C[6]	S	4:3:1:1:	3:3:4:2:	3:4:1:	C[6]-4:S-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C[6a]-3:C-4:O-1:	C(C[6]C[6]2O)(SC[6a]O)(H)2	C[6](C[6]C[6]H)2(CHHS)(OC)	S(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2O)(SC[6a]O)(H)2	C[6](C[6]C[6]H)2(CHHS)(OC){1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)(O)	113.6265	0.326	2	113.6265	0.106	2	113.6265	0.106	2	113.6265	0.106	2	112.0223	4.001	7	112.0223	4.001	7
490	466	887	0:SP3_SP3_SP3	C	C[6]	S	4:3:1:1:	3:3:4:4:	3:4:1:	C[6]-4:S-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6a]-3:C-4:O-1:	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	S(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(CC[6]HH)(O)	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	112.0223	4.001	7	112.0223	4.001	7
490	466	890	0:SP3_SP3_SP3	C	C[6]	As	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[6]-4:As-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:Ga-4:C-4:C-4:	C(C[6]C[6]2C)(AsGaCC)(H)2	C[6](C[6]As[6]HH)2(CAsHH)(CH3)	As(CC[6]HH)(GaCl3)(CH3)2	C(C[6]C[6]2C)(AsGaCC)(H)2	C[6](C[6]As[6]HH)2(CAsHH)(CH3){1|Ga<4>,4|C<4>}	As(CC[6]HH)(GaCl3)(CH3)2	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1
490	466	892	0:SP3_SP3_SP3	C	C[3x6]	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:N-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]3)(NH3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHN)	N(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]3)(NH3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHN){3|C<4>,3|H<1>}	N(CC[3x6]HH)(H)3	113.7450	0.031	2	113.7450	0.001	2	113.7450	0.001	2	113.7450	0.001	2	113.2707	0.675	3	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[3x6]	N	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	N(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	N(CC[3x6]CH)(H)3	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	113.2707	0.675	3	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6,6]	N	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H)	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H){1|H<1>,4|C<3>}	N(CC[6,6]HH)(CC[6a]CH)(H)2	112.0890	0.000	1	112.0890	0.000	1	112.0890	0.000	1	112.0890	0.000	1	112.0890	0.000	1	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:3:4:1:	3:4:2:4:	4:4:4:1:	C[6]-4:C[6a]-3:N-4:H-1:	C[6]-3:C-4:N[6]-2:O-4:	C-4:C-4:C-4:H-1:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	N(CC[6a]C[6]H)(CCHH)2(H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	N(CC[6a]C[6]H)(CCHH)2(H)	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:2:4:1:	4:4:2:1:	C[6]-4:N-4:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:B-4:O-2:H-1:	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	N(CC[6]HH)(BCHH)(OC)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	N(CC[6]HH)(BCHH)(OC)(H)	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:2:4:2:	4:4:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:C-4:H-1:H-1:	C(C[6]C[6]O[6]O)(NCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	N(CC[6]HH)(CC3)(H)2	C(C[6]C[6]O[6]O)(NCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	N(CC[6]HH)(CC3)(H)2	110.3190	1.875	2	110.3190	3.517	2	110.3190	3.517	2	110.1637	1.831	3	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:2:4:2:	4:4:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	N(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	N(C[5]C[5]2C)(CC[6]HH)(H)2	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	110.1637	1.831	3	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:3:4:1:	4:4:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6]C[6]2H)(NCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(NCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H){1|C<4>,3|H<1>}	N(CC[6a]HH)(CC[6]HH)(H)2	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[6]N[6]H)(NCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	N(CC[6]HH)(CCHH)(CH3)(H)	113.3880	0.000	1	113.3880	0.000	1	113.8950	0.514	2	113.8950	0.514	2	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[6]N[6]H)(NCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	N(CC[6]HH)(CH3)2(H)	114.4020	0.000	1	114.4020	0.000	1	113.8950	0.514	2	113.8950	0.514	2	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	N(CC[6]HH)(H)3	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	N(CC[6]HH)(H)3	114.8622	10.869	6	114.8622	118.136	6	111.7601	48.321	22	111.7309	44.142	24	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	N(CC[6]HH)(H)3	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	N(CC[6]HH)(H)3	111.6847	0.931	7	110.5968	22.977	16	111.7601	48.321	22	111.7309	44.142	24	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	N(CC[6]HH)(H)3	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|N<4>,4|H<1>}	N(CC[6]HH)(H)3	107.1722	6.034	6	110.5968	22.977	16	111.7601	48.321	22	111.7309	44.142	24	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	N(CC[6]HH)(H)3	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<4>,3|H<1>}	N(CC[6]HH)(H)3	114.9073	3.392	3	110.5968	22.977	16	111.7601	48.321	22	111.7309	44.142	24	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(NH3)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	N(CC[6]HH)(H)3	C(C[6]C[6]N[6]H)(NH3)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	N(CC[6]HH)(H)3	111.4105	0.554	2	111.4105	0.307	2	111.4105	0.307	2	111.7309	44.142	24	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H)	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N(CC[6]HH)(CCHH)(CH3)(H)	116.9830	0.000	1	116.9830	0.000	1	116.9830	0.000	1	115.7491	1.828	8	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|C<4>}	N(CC[6]HH)(CCHH)(CH3)(H)	117.2365	1.405	2	117.2365	1.974	2	115.5729	1.842	7	115.7491	1.828	8	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H)	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,4|H<1>}	N(CC[6]HH)(CH3)2(H)	114.9074	0.577	5	114.9074	0.333	5	115.5729	1.842	7	115.7491	1.828	8	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]C)(NH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	N(CC[6]HH)(H)3	C(C[6]C[6,6]C[6]C)(NH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	N(CC[6]HH)(H)3	114.6395	0.125	2	114.6395	0.016	2	114.6395	0.016	2	114.6046	0.384	23	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	N(CC[6]HH)(H)3	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	N(CC[6]HH)(H)3	114.6296	0.652	20	114.6296	0.425	20	114.6012	0.421	21	114.6046	0.384	23	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3)	N(CC[6]HH)(H)3	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	N(CC[6]HH)(H)3	114.0330	0.000	1	114.0330	0.000	1	114.6012	0.421	21	114.6046	0.384	23	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(C[6]C[6]2C)(NCHH)(H)2	C[6](C[6]N[6]HH)2(CHHN)(CH3)	N(CC[5a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2C)(NCHH)(H)2	C[6](C[6]N[6]HH)2(CHHN)(CH3){3|C<4>}	N(CC[5a]HH)(CC[6]HH)(H)2	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[6]-4:N-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	N(CC[6]HH)(CH3)2(H)	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:2:1:	4:4:4:1:	3:4:4:1:	C[6]-4:N-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:3:1:	4:2:4:1:	4:1:1:1:	C[6]-4:N-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	N(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N(CC[6]CH)(H)3	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	N(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(CC[6]CH)(H)3	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H)	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	N(CC[6]CH)(H)3	110.4010	0.000	1	110.4010	0.000	1	111.7874	3.518	5	111.7874	3.518	5	113.1213	17.895	73	113.1137	16.986	77
490	466	892	0:SP3_SP3_SP3	C	C[6]	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H)	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	N(CC[6]CH)(H)3	112.1340	1.972	4	112.1340	3.890	4	111.7874	3.518	5	111.7874	3.518	5	113.1213	17.895	73	113.1137	16.986	77
490	466	893	0:SP3_SP2_SP3	C	C[3x6]	O	4:2:1:1:	3:3:3:4:	4:3:	C[3x6]-4:O-2:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C-4:C-3:	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	O(CC[3x6]HH)(CCO)	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	O(CC[3x6]HH)(CCO)	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	108.9707	1.189	6	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	3:4:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6a]-3:C-4:	C(C[3x6]C[6,6]3)(OC[6a])(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHO)	O(C[6a]C[6a]2)(CC[3x6]HH)	C(C[3x6]C[6,6]3)(OC[6a])(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHO){3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[3x6]HH)	108.7890	0.013	2	108.7890	0.000	2	108.7890	0.000	2	108.7890	0.000	2	108.9707	1.189	6	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:C-3:	C(C[3x6]C[6,6]3)(OC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHO)	O(CC[3x6]HH)(CC[6a]O)	C(C[3x6]C[6,6]3)(OC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHO){3|C<4>,3|H<1>}	O(CC[3x6]HH)(CC[6a]O)	108.8930	0.229	2	108.8930	0.052	2	109.5670	1.389	3	109.5670	1.389	3	108.9707	1.189	6	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:C-3:	C(C[3x6]C[6,6]3)(OC)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	O(CC[3x6]HH)(CCO)	C(C[3x6]C[6,6]3)(OC)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	O(CC[3x6]HH)(CCO)	110.9150	0.000	1	110.9150	0.000	1	109.5670	1.389	3	109.5670	1.389	3	108.9707	1.189	6	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C-4:C-3:	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H)	O(CC[6,6]HH)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	O(CC[6,6]HH)(CC[6a]O)	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:3:4:2:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C-4:C-3:	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	O(CC[6,6]HH)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	O(CC[6,6]HH)(CC[6a]O)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:3:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C-4:C-3:	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	O(CC[6,6]HH)(CCO)	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	108.3885	9.019	2	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:3:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C-4:C-3:	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,5|H<1>}	O(CC[6,6]HH)(CCO)	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	108.3885	9.019	2	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H)	O(C[6a]C[6a]2)(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	O(C[6a]C[6a]2)(CC[6,6]HH)	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:C-3:	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	O(CC[6,6]HH)(CCO)	107.5255	1.694	4	107.5255	2.870	4	107.6994	2.304	5	107.6994	2.304	5	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:C-3:	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	O(CC[6,6]HH)(CCO)	108.3950	0.000	1	108.3950	0.000	1	107.6994	2.304	5	107.6994	2.304	5	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	O(CC[6,6]HH)(CCO)	108.1320	0.000	1	109.3440	2.938	2	109.3440	2.938	2	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	O(CC[6,6]HH)(CCO)	110.5560	0.000	1	109.3440	2.938	2	109.3440	2.938	2	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	O(CC[6,6]HH)(CCO)	109.6020	0.000	1	109.6020	0.000	1	111.1868	1.130	10	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	O(CC[6,6]HH)(CCO)	110.3030	0.000	1	111.3629	0.923	9	111.1868	1.130	10	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	O(CC[6,6]HH)(CCO)	112.6875	1.097	2	111.3629	0.923	9	111.1868	1.130	10	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	O(CC[6,6]HH)(CCO)	111.0773	0.657	3	111.3629	0.923	9	111.1868	1.130	10	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	O(CC[6,6]HH)(CCO)	111.1187	0.360	3	111.3629	0.923	9	111.1868	1.130	10	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(CC[6,6]HH)(CCO)	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(CC[6a]O)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	O(CC[6,6]HH)(CC[6a]O)	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO)	O(CC[6,6]HH)(CCO)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO){1|O<2>,3|C<4>,6|H<1>}	O(CC[6,6]HH)(CCO)	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	110.4535	2.607	15	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:3:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C-4:C-3:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(CC[6a]O)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	O(CC[6,6]C[6a]H)(CC[6a]O)	105.9790	0.000	1	105.9790	0.000	1	105.9790	0.000	1	105.9935	0.000	2	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:3:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C-4:C-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(CC[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(CC[6a]O)	106.0080	0.000	1	106.0080	0.000	1	106.0080	0.000	1	105.9935	0.000	2	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6,6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C-4:C-3:	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H)	O(CC[6,6]CH)(CC[6a]O)	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H){2|C<4>,2|H<1>}	O(CC[6,6]CH)(CC[6a]O)	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	109.4560	4.643	28	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	3:4:2:1:	3:3:4:1:	4:3:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C[6]H)(CCO)	104.6600	0.000	1	104.6600	0.000	1	104.6600	0.000	1	104.6600	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	O(CC[6a]C[6]H)(CC[6a]O)	107.7310	2.809	2	107.7310	7.888	2	107.7310	7.888	2	107.7310	7.888	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	2:4:4:4:	3:4:	C[6]-4:O-2:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6a]-3:C-4:	C(C[6]C[6]O[6]C)(OC[6a])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]C)(OC[6a])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3){2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:2:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C-4:C-3:	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O(CC[6]HH)(CC[6a]O)	109.9063	1.743	6	109.9063	3.038	6	109.9063	3.038	6	109.7971	2.615	7	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:2:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C-4:C-3:	C(C[6]C[6a]S[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO)	O(CC[6]HH)(CCN)	C(C[6]C[6a]S[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O(CC[6]HH)(CCN)	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.7971	2.615	7	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	O(CC[6]HH)(CC[6a]O)	109.2420	0.000	1	109.2420	0.000	1	109.6416	4.452	5	109.6416	4.452	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	O(CC[6]HH)(CCO)	109.6630	0.000	1	109.6630	0.000	1	109.6416	4.452	5	109.6416	4.452	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	O(CC[6]HH)(CC[6a]O)	112.9870	0.000	1	112.9870	0.000	1	109.6416	4.452	5	109.6416	4.452	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	O(CC[6]HH)(CCO)	109.1710	0.000	1	109.1710	0.000	1	109.6416	4.452	5	109.6416	4.452	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CC[6a]O)	107.1450	0.000	1	107.1450	0.000	1	109.6416	4.452	5	109.6416	4.452	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]2H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]2H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	O(CC[6]HH)(CCO)	107.7215	0.723	2	107.7215	0.523	2	107.7215	0.523	2	106.8070	3.337	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6]O)	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(CC[6]HH)(CC[6]O)	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	106.8070	3.337	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<4>}	O(CC[6]HH)(CC[6a]O)	104.1400	0.000	1	104.1400	0.000	1	104.1400	0.000	1	106.8070	3.337	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.6112	1.374	6	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6a]N[6]C)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	O(CC[6]HH)(CCO)	C(C[6]C[6,6a]N[6]C)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	O(CC[6]HH)(CCO)	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	108.6112	1.374	6	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3){1|H<1>,1|O<2>,3|C<4>}	O(CC[6]HH)(CC[6a]O)	109.3365	0.056	2	109.3365	0.003	2	108.3385	1.520	4	108.6112	1.374	6	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:3:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]H)2(CHHO)(CH3){1|C<4>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	107.3405	0.756	2	107.3405	0.571	2	108.3385	1.520	4	108.6112	1.374	6	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H)	O(CC[6]HH)(CCC)	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H){2|C<4>,5|C<3>}	O(CC[6]HH)(CCC)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	109.0236	5.371	9	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(CC[5]O)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[6]HH)(CC[5]O)	107.9490	0.322	3	107.9490	0.104	3	108.2984	5.505	5	109.0236	5.371	9	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CNO)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6]HH)(CNO)	105.5900	0.000	1	105.5900	0.000	1	108.2984	5.505	5	109.0236	5.371	9	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[6]HH)(CC[6a]O)	112.0550	0.000	1	112.0550	0.000	1	108.2984	5.505	5	109.0236	5.371	9	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(CC[6]HH)(CCO)	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	109.0236	5.371	9	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	O(CC[6]HH)(COO)	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(CC[6]HH)(COO)	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	109.0236	5.371	9	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	N[6,6a]-3:C[6,6]-4:C-4:H-1:	C-4:C-3:	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	109.0236	5.371	9	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	3:4:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C-4:	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	108.9960	0.000	1	108.9960	0.000	1	108.9960	0.000	1	110.7820	6.380	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a]-3:C-4:	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	110.7820	6.380	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	O(CC[6]HH)(CCO)	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	108.0900	1.263	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O(CC[6]HH)(CC[6a]O)	108.2403	1.493	3	108.0312	1.661	4	108.0312	1.661	4	108.0900	1.263	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C-4:C-3:	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,3|C<3>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	107.4040	0.000	1	108.0312	1.661	4	108.0312	1.661	4	108.0900	1.263	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	110.4730	0.000	1	110.4730	0.000	1	109.8930	10.888	5	109.8930	10.888	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a]2)(CC[6]HH)	105.2220	0.000	1	105.2220	0.000	1	109.8930	10.888	5	109.8930	10.888	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	108.0540	0.000	1	108.0540	0.000	1	109.8930	10.888	5	109.8930	10.888	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H)	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H){3|C<4>}	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	112.8580	0.658	2	112.8580	0.432	2	109.8930	10.888	5	109.8930	10.888	5	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCO)	106.7330	0.501	2	106.7330	0.251	2	106.9704	0.872	5	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(CN[5a]S)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CN[5a]S)	105.7730	0.000	1	105.7730	0.000	1	106.9704	0.872	5	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	108.1890	0.000	1	107.8065	0.293	2	106.9704	0.872	5	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CC[6a]O)	107.4240	0.000	1	107.8065	0.293	2	106.9704	0.872	5	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]O[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6]O[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6]HH)(CC[6a]O)	110.0525	0.397	2	110.0525	0.157	2	110.0525	0.157	2	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6]HH)(CCO)	107.3160	0.000	1	108.2665	1.807	2	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(CC[6]HH)(CCO)	109.2170	0.000	1	108.2665	1.807	2	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	109.9663	2.165	3	109.9663	4.687	3	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCO)	107.6385	0.997	4	107.6385	0.993	4	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(CC[6]HH)(CCO)	107.3250	0.354	2	107.3250	0.125	2	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(CC[6]HH)(CC[6a]O)	110.0800	0.000	1	110.0800	0.000	1	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,2|H<1>}	O(CC[6]HH)(CCO)	106.0950	0.000	1	106.0950	0.000	1	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(CCO)	105.9960	0.000	1	105.9960	0.000	1	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CC[6a]O)	107.4180	0.000	1	107.4180	0.000	1	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(CCO)	108.6205	0.165	2	108.6205	0.027	2	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCO)	108.0830	1.048	2	108.4067	0.863	3	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(CCO)	109.0540	0.000	1	108.4067	0.863	3	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	106.8840	0.689	2	107.9746	3.329	5	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O(CC[6]HH)(CCO)	107.6750	0.000	1	107.9746	3.329	5	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(CCO)	107.3050	0.000	1	107.9746	3.329	5	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(CCO)	111.1250	0.000	1	107.9746	3.329	5	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(COO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(COO)	104.9410	0.048	2	104.9410	0.002	2	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	106.6180	0.000	1	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6]HH)(CCO)	108.1050	0.000	1	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(CC[6]HH)(CCO)	105.6410	0.000	1	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O(CC[6]HH)(CCO)	107.8850	1.359	2	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	108.3968	1.254	5	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	O(CC[6]HH)(CCO)	107.4938	0.329	4	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	107.8640	0.000	1	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	108.8037	1.985	9	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	107.9528	1.904	23	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6]HH)(CCO)	108.0764	1.854	24	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(CC[6]HH)(CCO)	109.3075	3.483	2	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(CCO)	108.5450	0.000	1	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCO)	108.5775	1.971	78	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(CC[6]HH)(CCO)	108.1400	0.000	1	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	109.5225	0.668	2	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(CCO)	109.3522	2.014	5	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	108.6030	0.086	2	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	O(CC[6]HH)(CCO)	108.1165	2.485	2	108.3874	3.485	164	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	107.0090	0.000	2	106.9083	0.030	3	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	106.7070	0.000	1	106.9083	0.030	3	108.2974	3.388	194	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]S[6]H)(OC)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(CC[5a]O)	C(C[6]C[6]S[6]H)(OC)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	O(CC[6]HH)(CC[5a]O)	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	108.2693	3.377	202	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:C-3:	C(C[6]C[6]O[6]O)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O(CC[6]HH)(CCO)	C(C[6]C[6]O[6]O)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(CCO)	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:2:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C-4:C-3:	C(C[6]C[5,6]O[6]C)(OC)(H)2	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[5,6]O[6]C)(OC)(H)2	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3){2|C<4>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:3:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C-4:C-3:	C(C[6]C[3x6]C[6]2)(OC)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[3x6]C[6]2)(OC)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O(CC[6]HH)(CC[6a]O)	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:Br-1:	C-4:C-3:	C(C[6]C[6]2Br)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2Br)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br){1|C<3>,2|C<4>}	O(CC[6]HH)(CC[6a]O)	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	O(CC[6]HH)(CC[6a]O)	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	O(CC[6]HH)(CCO)	110.0900	0.000	1	110.0900	0.000	1	108.3970	1.406	8	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	O(CC[6]HH)(CCO)	108.5585	1.756	2	108.5585	3.083	2	108.3970	1.406	8	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	O(CC[6]HH)(CC[6a]O)	107.7340	0.000	1	107.7340	0.000	1	108.3970	1.406	8	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(CCO)	107.5940	0.000	1	107.5940	0.000	1	108.3970	1.406	8	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(CCO)	108.5060	0.000	1	108.5060	0.000	1	108.3970	1.406	8	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(CCO)	106.9430	0.000	1	106.9430	0.000	1	108.3970	1.406	8	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(CCO)	109.1920	0.000	1	109.1920	0.000	1	108.3970	1.406	8	108.4703	1.369	10	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C-4:C-3:	C(C[6]C[3x6]C[6]O)(OC)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[3x6]C[6]O)(OC)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH){2|C<3>,2|C<4>,3|H<1>}	O(CC[6]HH)(CC[6a]O)	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.9563	0.668	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	109.8250	0.000	1	109.8250	0.000	1	109.0135	1.317	2	108.9563	0.668	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	108.2020	0.000	1	108.2020	0.000	1	109.0135	1.317	2	108.9563	0.668	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:3:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	O(CC[6]HH)(CCO)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	O(CC[6]HH)(CCO)	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:3:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C-4:C-3:	C(C[6]C[6]3)(OC)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]3)(OC)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	O(CC[6]HH)(CC[6a]O)	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-3:C-4:	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[5,5,6]O)(CC[6]HH)	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(CC[5,5,6]O)(CC[6]HH)	107.8070	0.000	1	108.4307	1.094	3	108.4307	1.094	3	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-3:C-4:	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[5,5,6]O)(CC[6]HH)	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(CC[5,5,6]O)(CC[6]HH)	108.7425	1.266	2	108.4307	1.094	3	108.4307	1.094	3	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6]HH)	109.3510	0.993	2	109.3510	0.986	2	108.4332	0.911	18	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	108.5755	0.688	2	108.5755	0.473	2	108.4332	0.911	18	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	109.6870	0.000	1	108.5415	2.624	2	108.4332	0.911	18	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	107.3960	0.000	1	108.5415	2.624	2	108.4332	0.911	18	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	108.9123	0.847	3	108.9123	0.717	3	108.4332	0.911	18	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	107.8030	0.000	1	108.0138	0.744	9	108.4332	0.911	18	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	3:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CC[6]HH)	108.0401	0.918	8	108.0138	0.744	9	108.4332	0.911	18	108.4328	0.884	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(CC[6]HH)(CC[6a]O)	107.5320	0.000	1	107.5320	0.000	1	107.2507	0.214	4	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	107.1010	0.000	1	107.1010	0.000	1	107.2507	0.214	4	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CNO)	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	O(CC[6]HH)(CNO)	107.1850	0.728	2	107.1850	0.530	2	107.2507	0.214	4	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	O(CC[6]HH)(CCO)	107.3540	0.000	1	110.8965	25.099	2	108.8500	8.519	6	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){2|O<2>,3|C<4>,6|H<1>}	O(CC[6]HH)(CCO)	114.4390	0.000	1	110.8965	25.099	2	108.8500	8.519	6	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(CC[6]HH)(CC[6a]O)	107.9590	0.000	1	107.9590	0.000	1	108.8500	8.519	6	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	O(CC[6]HH)(CCO)	109.5160	0.000	1	109.5160	0.000	1	108.8500	8.519	6	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	106.9160	0.635	2	106.9160	0.403	2	108.8500	8.519	6	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CNO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	O(CC[6]HH)(CNO)	109.3500	0.000	1	109.3500	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(CCO)	110.6590	0.000	1	110.6590	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	O(CC[6]HH)(CCO)	112.3170	0.000	1	112.3170	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	O(CC[6]HH)(CC[6a]O)	109.6720	0.000	1	109.6720	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	O(CC[6]HH)(CCO)	108.4520	0.000	1	108.4520	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	107.8380	0.000	1	107.8380	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCO)	107.3430	0.000	1	108.1815	1.406	2	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	O(CC[6]HH)(CCO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(CCO)	109.0200	0.000	1	108.1815	1.406	2	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	O(CC[6]HH)(COO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	O(CC[6]HH)(COO)	108.6390	0.000	1	108.6390	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	108.2120	0.000	1	108.2120	0.000	1	109.1502	2.139	10	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[6]-4:O-2:H-1:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]N[5,6]C[6]H)(OC)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(CC[6a]O)	C(C[6]N[5,6]C[6]H)(OC)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	O(CC[6]HH)(CC[6a]O)	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	108.9081	4.743	21	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[5,6]C[6]O)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	O(CC[6]HH)(CCO)	C(C[6]C[5,6]C[6]O)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	O(CC[6]HH)(CCO)	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	109.0881	2.996	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	108.7545	1.092	2	108.7545	1.194	2	109.1094	3.492	7	109.0881	2.996	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	108.6190	0.000	1	108.6190	0.000	1	109.1094	3.492	7	109.0881	2.996	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(OH)	O(CC[6]HH)(CCO)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	O(CC[6]HH)(CCO)	109.3910	0.000	1	109.3910	0.000	1	109.1094	3.492	7	109.0881	2.996	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(ON)	O(CC[6]HH)(CCO)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(ON){1|C<4>,4|H<1>}	O(CC[6]HH)(CCO)	112.9600	0.000	1	112.9600	0.000	1	109.1094	3.492	7	109.0881	2.996	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)2(CHHO)(OH)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	107.6435	0.244	2	107.6435	0.060	2	109.1094	3.492	7	109.0881	2.996	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:3:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO){4|C<4>,4|H<1>}	O(CC[6]HH)(CCO)	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	O(CC[6]HH)(CCO)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(CC[6]HH)(CCO)	114.3585	0.407	2	114.3585	0.165	2	114.3585	0.165	2	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(CCO)	109.6450	0.000	1	109.6450	0.000	1	109.3260	0.886	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	108.2100	0.000	1	108.9937	0.765	3	109.3260	0.886	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	109.3855	0.780	2	108.9937	0.765	3	109.3260	0.886	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(CC[6]HH)(CCO)	108.5720	0.000	1	109.8627	1.253	3	109.3260	0.886	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(CC[6]HH)(CCO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(CC[6]HH)(CCO)	110.5080	0.091	2	109.8627	1.253	3	109.3260	0.886	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(CC[6a]O)	108.3940	0.000	1	108.3940	0.000	1	109.3260	0.886	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	O(CC[6]HH)(CCO)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(CC[6]HH)(CCO)	107.7140	0.000	1	107.7140	0.000	1	108.9616	3.013	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]HH)(CC[6a]O)	111.0360	0.000	1	111.0360	0.000	1	108.9616	3.013	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	O(CC[6]HH)(CC[6a]O)	109.3460	0.000	1	109.3460	0.000	1	108.9616	3.013	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	O(CC[6]HH)(CC[5]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	O(CC[6]HH)(CC[5]O)	107.9070	0.000	1	107.9070	0.000	1	108.9616	3.013	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	O(CC[6]HH)(CC[5a]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	O(CC[6]HH)(CC[5a]O)	109.4810	0.000	1	109.4810	0.000	1	108.9616	3.013	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	O(CC[6]HH)(CC[6a]O)	107.2340	0.103	2	107.2340	0.011	2	108.9616	3.013	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]O[6]HH)2(CHHO)(CH3)	O(CC[6]HH)(CC[6a]O)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]O[6]HH)2(CHHO)(CH3){1|C<4>}	O(CC[6]HH)(CC[6a]O)	111.7410	0.000	1	111.7410	0.000	1	108.9616	3.013	8	109.7232	4.490	18	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:2:4:4:	3:4:4:1:	3:4:	C[6]-4:O-2:C-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	O(C[6a]C[6a]2)(CC[6]CC)	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H){2|C<3>}	O(C[6a]C[6a]2)(CC[6]CC)	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	3:3:4:2:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-3:C-4:O-2:	C-4:C-3:	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	O(CC[6]2H)(CCO)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	O(CC[6]2H)(CCO)	107.7945	1.466	2	107.7945	2.149	2	107.7945	2.149	2	107.7945	2.149	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	O(CC[6]2H)(CC[6a]O)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	O(CC[6]2H)(CC[6a]O)	104.7880	0.000	1	104.7880	0.000	1	104.7880	0.000	1	104.7880	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(CC[6a]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	O(CC[6a]C[6]H)(CC[6a]O)	104.9640	0.000	1	104.9640	0.000	1	104.9640	0.000	1	104.9640	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:C-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(CCO)	109.7505	0.647	2	109.7505	0.419	2	109.7505	0.419	2	107.5147	8.043	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2H)(CCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]CH)(CC[6a]O)	103.9160	0.000	1	103.9160	0.000	1	105.2790	3.716	2	107.5147	8.043	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(COO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2H)(COO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	O(CC[6]CH)(CCO)	106.6420	0.000	1	106.6420	0.000	1	105.2790	3.716	2	107.5147	8.043	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(CNO)(OC)(H)	C[6](C[6]C[6]FH)2(CCHO)(CH3)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2C)(CNO)(OC)(H)	C[6](C[6]C[6]FH)2(CCHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	O(CC[6]CH)(CC[6a]O)	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.9547	0.286	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[6]-4:C[5a]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	O(CC[5a]C[6]H)(CCO)	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(CC[5a]C[6]H)(CCO)	108.2530	0.197	2	108.2530	0.039	2	108.2530	0.039	2	107.9547	0.286	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:3:4:2:	4:3:4:1:	4:3:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	O(CC[6]2C)(CC[6a]O)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	O(CC[6]2C)(CC[6a]O)	102.0770	0.000	1	102.0770	0.000	1	102.0770	0.000	1	102.0770	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	2:3:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(CCO)	102.0430	0.000	1	102.0430	0.000	1	102.0430	0.000	1	105.7890	28.065	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	2:3:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	S[6]-2:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H){1|H<1>,2|C<3>}	O(CC[6]CH)(CCO)	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	105.7890	28.065	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	3:2:2:4:	4:3:	C[5]-4:C[6]-4:O-2:H-1:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C-4:C-3:	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO)	O(CC[5]C[6]H)(CC[6a]O)	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO){1|C<4>,2|C<3>,6|H<1>}	O(CC[5]C[6]H)(CC[6a]O)	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	3:3:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	O(CC[6]CH)(CCO)	105.6180	0.000	1	105.6180	0.000	1	105.6180	0.000	1	107.6895	8.582	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	3:3:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[6]CH)(CCO)	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	107.6895	8.582	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	O(CC[5]C[6]H)(CCO)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H){2|C<3>,2|C<4>}	O(CC[5]C[6]H)(CCO)	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	108.5077	1.068	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	O(CC[6]CH)(CCO)	107.4650	0.000	1	107.4650	0.000	1	107.9955	0.563	2	108.5077	1.068	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	O(CC[6]CH)(CCO)	108.5260	0.000	1	108.5260	0.000	1	107.9955	0.563	2	108.5077	1.068	3	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	O(CC[6]CH)(CCO)	109.9160	0.000	1	109.9160	0.000	1	110.0930	0.063	2	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(CC[6]CH)(CCO)	110.2700	0.000	1	110.2700	0.000	1	110.0930	0.063	2	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	O(CC[6]CH)(CCO)	104.6305	0.805	2	104.6305	0.649	2	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H){1|O<1>,3|C<4>}	O(CC[6]CH)(CCO)	106.6120	0.000	1	106.6120	0.000	1	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	O(CC[6]CH)(CCO)	105.7405	0.688	2	105.7405	0.473	2	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(CC[6]CH)(CCO)	108.4450	0.000	1	109.2127	0.471	3	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(CC[6]CH)(CCO)	109.4250	0.000	1	109.2127	0.471	3	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	O(CC[6]CH)(CCO)	109.7680	0.000	1	109.2127	0.471	3	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(CC[6]CH)(CCO)	105.7550	0.000	1	105.7550	0.000	1	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[6]CH)(CC[6a]O)	105.5120	0.000	1	105.5120	0.000	1	106.6259	3.741	10	107.2037	4.888	12	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:2:4:2:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:C-3:	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(CC[6a]O)	107.5950	0.000	1	107.5950	0.000	1	107.5950	0.000	1	107.5950	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	3:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-3:C-4:	C(C[6]C[6]2H)(CF3)(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H)	O(CC[5,5,6]O)(CC[6]CH)	C(C[6]C[6]2H)(CF3)(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H){1|C<4>,2|H<1>}	O(CC[5,5,6]O)(CC[6]CH)	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(CCO)	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(CC[6]CH)(CCO)	109.4635	1.160	2	109.4635	1.346	2	109.4635	1.346	2	109.3863	3.201	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	O(CC[6]CH)(CC[6a]O)	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	109.3863	3.201	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	O(CC[6]2H)(CCO)	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]2H)(CCO)	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	109.3863	3.201	4	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	O(CC[3]C[6]H)(CC[6a]O)	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HH)2(CC[3]HO)(H){1|C<4>,4|H<1>}	O(CC[3]C[6]H)(CC[6a]O)	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(CC[6]CH)(CC[6a]O)	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CCCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(CC[6a]O)	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[5]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	O(CC[5]C[6]H)(CCO)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(CC[5]C[6]H)(CCO)	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	O(CC[6]2H)(CC[6a]O)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	O(CC[6]2H)(CC[6a]O)	106.9090	1.230	2	107.8103	1.864	10	107.8103	1.864	10	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	O(CC[6]2H)(CC[6a]O)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(CC[6]2H)(CC[6a]O)	108.0356	1.375	8	107.8103	1.864	10	107.8103	1.864	10	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	O(CC[6]2H)(CC[6a]O)	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	O(CC[6]2H)(CC[6a]O)	111.2050	0.000	1	111.2050	0.000	1	108.0715	19.638	2	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	O(CC[6]2H)(CCO)	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]2H)(CCO)	104.9380	0.000	1	104.9380	0.000	1	108.0715	19.638	2	107.9833	3.173	16	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(CCHO)(OC)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	O(CC[6]CH)(CCO)	C(C[6]C[6]2O)(CCHO)(OC)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	O(CC[6]CH)(CCO)	107.1810	0.000	1	107.1810	0.000	1	105.3040	7.046	2	104.3598	1.461	13	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2O)(CH3)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2O)(CH3)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	O(CC[6]CH)(CC[6a]O)	103.4270	0.000	1	103.4270	0.000	1	105.3040	7.046	2	104.3598	1.461	13	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	O(CC[6]2H)(CC[6a]O)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6]2H)(CC[6a]O)	104.1808	0.950	9	104.1088	0.855	10	104.1882	0.838	11	104.3598	1.461	13	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	O(CC[6]2H)(CC[6a]O)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	O(CC[6]2H)(CC[6a]O)	103.4610	0.000	1	104.1088	0.855	10	104.1882	0.838	11	104.3598	1.461	13	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	O(CC[6]2H)(CC[6a]O)	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	O(CC[6]2H)(CC[6a]O)	104.9820	0.000	1	104.9820	0.000	1	104.1882	0.838	11	104.3598	1.461	13	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(CCO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(CC[6]CH)(CCO)	107.5914	0.946	5	107.5914	0.895	5	107.6506	1.541	9	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(CNO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(CC[6]CH)(CNO)	106.3060	0.440	2	106.3060	0.193	2	107.6506	1.541	9	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	O(CC[6]CH)(CCO)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(CC[6]CH)(CCO)	109.6270	0.000	1	109.6270	0.000	1	107.6506	1.541	9	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO){3|C<4>,4|H<1>}	O(CC[6]CH)(CC[6a]O)	108.6590	0.000	1	108.6590	0.000	1	107.6506	1.541	9	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(CCO)	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(CC[6]CH)(CCO)	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(CCHH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2C)(CCHH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	O(CC[6]CH)(CC[6a]O)	106.2580	0.000	1	106.2580	0.000	1	107.1778	3.385	4	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(CCO)	108.7640	0.000	1	108.7640	0.000	1	107.1778	3.385	4	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(CCO)	105.0320	0.000	1	105.0320	0.000	1	107.1778	3.385	4	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-3:	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(CCO)	108.6570	0.000	1	108.6570	0.000	1	107.1778	3.385	4	107.6202	1.963	14	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(CCO)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H){2|H<1>,3|C<4>}	O(CC[6]CC)(CCO)	98.5138	0.000	1	98.5138	0.000	1	99.2012	0.945	2	99.2012	0.945	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(CCO)	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,3|H<1>}	O(CC[6]CC)(CCO)	99.8886	0.000	1	99.8886	0.000	1	99.2012	0.945	2	99.2012	0.945	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:3:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	O(CC[6]CC)(CCO)	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	O(CC[6]CC)(CCO)	101.1565	0.443	2	101.1565	0.197	2	101.1565	0.197	2	101.1565	0.197	2	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(CCO)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CC)(CCO)	115.3800	0.000	1	112.4833	9.850	7	111.3096	19.462	8	111.3096	19.462	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(CCO)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|H<1>,1|N<2>,2|C<4>}	O(CC[6]CC)(CCO)	111.6050	0.000	1	112.4833	9.850	7	111.3096	19.462	8	111.3096	19.462	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(CCO)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CC)(CCO)	112.5690	3.769	2	112.4833	9.850	7	111.3096	19.462	8	111.3096	19.462	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(CCO)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	O(CC[6]CC)(CCO)	111.7533	4.130	3	112.4833	9.850	7	111.3096	19.462	8	111.3096	19.462	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP2_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6]HH)2(CCCO)(H)	O(CC[6]CC)(CC[6a]O)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	O(CC[6]CC)(CC[6a]O)	103.0940	0.000	1	103.0940	0.000	1	111.3096	19.462	8	111.3096	19.462	8	108.2293	5.123	432	108.3125	5.121	466
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O)	O(CC[3x6]2C[5a])(H)	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O){3|C<4>,3|H<1>}	O(CC[3x6]2C[5a])(H)	106.1875	0.103	2	106.1875	0.011	2	105.1035	2.430	4	105.1035	2.430	4	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O)	O(CC[3x6]2C[5a])(H)	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O){3|C<4>,3|H<1>}	O(CC[3x6]2C[5a])(H)	104.0195	1.606	2	104.0195	2.579	2	105.1035	2.430	4	105.1035	2.430	4	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	3:3:2:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C-4:H-1:	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO){1|C<3>,1|C<4>,1|O<1>}	O(CC[3x6]HH)(H)	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	3:3:2:4:	4:4:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C-4:Si-4:	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	O(CC[3x6]HH)(SiC[6a]2C)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(CC[3x6]HH)(SiC[6a]2C)	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	3:3:3:4:	4:4:	C[3x6]-4:O-2:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:C-4:	C(C[3x6]C[6,6,6a]3)(OC)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO)	O(CC[3x6]HH)(CCHH)	C(C[3x6]C[6,6,6a]3)(OC)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO){1|C<4>,3|H<1>,6|C<3>}	O(CC[3x6]HH)(CCHH)	109.8050	0.472	2	109.8050	0.223	2	109.8050	0.223	2	109.8050	0.223	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	3:3:4:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C-4:H-1:	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	O(CC[3x6]HH)(H)	111.0680	0.508	2	111.0680	0.258	2	111.0680	0.258	2	111.0680	0.258	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	3:4:2:4:	4:4:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C-4:Si-4:	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO)	O(CC[3x6]HH)(SiC[6a]2C)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(CC[3x6]HH)(SiC[6a]2C)	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:3:3:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C-4:H-1:	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,3|H<1>}	O(CC[3x6]HH)(H)	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C-4:H-1:	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO){1|C<4>,1|N<3>,3|H<1>}	O(CC[3x6]HH)(H)	112.9133	0.648	6	112.9133	0.420	6	112.9133	0.420	6	112.9133	0.420	6	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C-4:H-1:	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CC[3x6]HH)(H)	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	111.9550	26.339	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C-4:H-1:	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(CC[3x6]HH)(H)	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	111.9550	26.339	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)(OH)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[6,6]3)(OH)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CHHO){3|C<4>}	O(CC[3x6]HH)(H)	111.7260	1.081	4	111.7260	1.168	4	112.2198	1.723	6	112.2198	1.723	6	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)(OH)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	O(CC[3x6]HH)(H)	C(C[3x6]C[6,6]3)(OH)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	O(CC[3x6]HH)(H)	113.2075	1.477	2	113.2075	2.182	2	112.2198	1.723	6	112.2198	1.723	6	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:P-3:	C(C[3x6]C[6,6]3)(OP)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	O(CC[3x6]HH)(POO)	C(C[3x6]C[6,6]3)(OP)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<3>}	O(CC[3x6]HH)(POO)	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[3x6]-4:O-2:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C-4:Si-4:	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO)	O(CC[3x6]HH)(SiC3)	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,8|H<1>}	O(CC[3x6]HH)(SiC3)	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	108.9790	0.892	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:S-4:	C(C[3x6]C[6,6]3)(OS)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	O(CC[3x6]HH)(SC[6a]OO)	C(C[3x6]C[6,6]3)(OS)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	O(CC[3x6]HH)(SC[6a]OO)	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.9790	0.892	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:3:2:1:	3:3:2:4:	4:1:	C[3x6]-4:C[5a]-3:O-2:H-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C-4:H-1:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO)	O(CC[3x6]C[5a]H)(H)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO){1|O<1>,2|C<4>}	O(CC[3x6]C[5a]H)(H)	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	107.5260	4.090	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:3:2:1:	3:3:2:4:	4:1:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C-4:H-1:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO)	O(CC[3x6]C[6a]H)(H)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO){1|O<1>,2|C<4>}	O(CC[3x6]C[6a]H)(H)	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	107.5260	4.090	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO)	O(CC[3x6]C[6a]H)(H)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO){3|C<4>,3|H<1>}	O(CC[3x6]C[6a]H)(H)	107.8165	0.018	2	107.8165	0.000	2	107.8165	0.000	2	107.8165	0.000	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[3x6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O)	O(CC[3x6]C[6a]2)(H)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O){3|C<4>,3|H<1>}	O(CC[3x6]C[6a]2)(H)	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:2:1:	3:3:4:4:	4:4:	C[3x6]-4:C-4:O-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C-4:	C-4:C-4:	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO)	O(CC[3x6]CH)(CH3)	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	O(CC[3x6]CH)(CH3)	106.1910	1.546	2	106.1910	2.389	2	106.1910	2.389	2	106.9294	1.084	8	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:2:1:	3:3:4:4:	4:4:	C[3x6]-4:C-4:O-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C-4:C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	O(CC[3x6]CH)(CH3)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	O(CC[3x6]CH)(CH3)	107.8160	0.068	2	107.1755	0.749	6	107.1755	0.749	6	106.9294	1.084	8	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:2:1:	3:3:4:4:	4:4:	C[3x6]-4:C-4:O-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C-4:C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	O(CC[3x6]CH)(CH3)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	O(CC[3x6]CH)(CH3)	107.2600	0.000	2	107.1755	0.749	6	107.1755	0.749	6	106.9294	1.084	8	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:2:1:	3:3:4:4:	4:4:	C[3x6]-4:C-4:O-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C-4:C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	O(CC[3x6]CH)(CH3)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O(CC[3x6]CH)(CH3)	106.4505	1.361	2	107.1755	0.749	6	107.1755	0.749	6	106.9294	1.084	8	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[3x6]-4:P-4:O-2:H-1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C-4:C-4:	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	O(CC[3x6]HP)(CH3)	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	O(CC[3x6]HP)(CH3)	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[3x6]-4:Si-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:Si-4:	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSiHO)	O(CC[3x6]SiH)(SiSiCC)	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSiHO){3|C<4>,3|H<1>}	O(CC[3x6]SiH)(SiSiCC)	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	110.7330	0.002	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[3x6]-4:Si[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:Si-4:	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO)	O(CC[3x6]Si[6]H)(SiC3)	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO){3|C<4>,3|H<1>}	O(CC[3x6]Si[6]H)(SiC3)	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	110.7330	0.002	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O)	O(CC[3x6]2C[6a])(H)	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O){3|C<4>,3|H<1>}	O(CC[3x6]2C[6a])(H)	103.2095	0.252	2	103.2095	0.064	2	103.2095	0.064	2	103.2095	0.064	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CCCO)	O(CC[3x6]CC)(H)	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CCCO){3|C<4>,3|H<1>}	O(CC[3x6]CC)(H)	105.1835	0.170	2	105.1835	0.029	2	105.1835	0.029	2	105.1835	0.029	2	109.1342	10.442	49	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[4x6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[4x6]-4:O-2:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO)	O(CC[4x6]HH)(H)	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO){4|C<4>,7|H<1>}	O(CC[4x6]HH)(H)	113.0310	1.048	2	113.0310	1.098	2	113.0310	1.098	2	113.0310	1.098	2	113.0310	1.098	2	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	3:4:3:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C-4:Si-4:	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	O(CC[6,6]HH)(SiC3)	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	O(CC[6,6]HH)(SiC3)	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO){2|Si<4>,4|H<1>}	O(CC[6,6]HH)(H)	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	O(CC[6,6]HH)(H)	110.3370	0.000	1	110.9475	0.745	2	110.9475	0.745	2	112.8113	4.969	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	O(CC[6,6]HH)(H)	111.5580	0.000	1	110.9475	0.745	2	110.9475	0.745	2	112.8113	4.969	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(CC[6,6]HH)(H)	114.3090	0.000	1	114.6750	0.268	2	114.6750	0.268	2	112.8113	4.969	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	O(CC[6,6]HH)(H)	115.0410	0.000	1	114.6750	0.268	2	114.6750	0.268	2	112.8113	4.969	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:3:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(CHHO)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	O(CC[6,6]HH)(CHHO)	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C-4:H-1:	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){4|C<4>,6|H<1>}	O(CC[6,6]HH)(H)	107.8180	0.000	1	107.8180	0.000	1	108.1570	0.689	4	108.1570	0.689	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C-4:H-1:	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO){1|C<4>,3|C<3>,3|H<1>}	O(CC[6,6]HH)(H)	108.2700	0.978	3	108.2700	0.956	3	108.1570	0.689	4	108.1570	0.689	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:3:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C-4:C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(CC[6,6]HH)(CH3)	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(CC[6,6]HH)(H)	112.8690	0.000	1	113.0140	0.042	2	113.0140	0.042	2	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(CC[6,6]HH)(H)	113.1590	0.000	1	113.0140	0.042	2	113.0140	0.042	2	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	O(CC[6,6]HH)(H)	109.6570	0.000	1	109.6570	0.000	1	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	O(CC[6,6]HH)(H)	114.1658	1.852	4	114.1658	3.429	4	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	O(CC[6,6]HH)(H)	111.6120	0.331	2	111.2368	0.440	4	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	O(CC[6,6]HH)(H)	111.4310	0.000	1	111.2368	0.440	4	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	O(CC[6,6]HH)(H)	110.2920	0.000	1	111.2368	0.440	4	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	O(CC[6,6]HH)(H)	110.3490	0.000	1	110.3490	0.000	1	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	O(CC[6,6]HH)(H)	111.9560	0.000	1	111.9560	0.000	1	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	O(CC[6,6]HH)(H)	111.7368	1.916	4	111.7368	3.670	4	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	O(CC[6,6]HH)(H)	108.5450	0.000	1	108.5450	0.000	1	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	O(CC[6,6]HH)(H)	112.4390	0.000	1	112.4390	0.000	1	111.8531	3.998	17	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	O(CC[6,6]HH)(H)	111.5110	0.000	1	111.5110	0.000	1	112.2527	2.424	4	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	O(CC[6,6]HH)(H)	112.5000	1.808	3	112.5000	3.270	3	112.2527	2.424	4	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H)	O(CC[6,6]HH)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	O(CC[6,6]HH)(H)	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	112.0837	3.302	24	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:2:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C-4:C-4:	C(C[6,6]C[3x6]2O)(OC)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[3x6]2O)(OC)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC){2|C<4>,8|H<1>}	O(CC[6,6]HH)(CH3)	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C-4:H-1:	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	O(CC[6,6]HH)(H)	113.5140	0.000	1	113.5140	0.000	1	113.5140	0.000	1	112.1609	6.709	8	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	O(CC[6,6]HH)(H)	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	112.1609	6.709	8	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	O(CC[6,6]HH)(H)	109.1630	0.000	1	109.3990	0.111	2	109.3990	0.111	2	112.1609	6.709	8	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	O(CC[6,6]HH)(H)	109.6350	0.000	1	109.3990	0.111	2	109.3990	0.111	2	112.1609	6.709	8	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	O(CC[6,6]HH)(H)	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	112.1609	6.709	8	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	O(CC[6,6]HH)(H)	111.2150	0.072	2	111.2150	0.005	2	112.2547	3.245	3	112.1609	6.709	8	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO)	O(CC[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,8|H<1>}	O(CC[6,6]HH)(H)	114.3340	0.000	1	114.3340	0.000	1	112.2547	3.245	3	112.1609	6.709	8	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	O(CC[6,6]HH)(CH3)	109.7525	0.576	4	109.7525	0.332	4	109.1545	1.012	15	109.4766	1.723	17	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	O(CC[6,6]HH)(CH3)	108.3246	0.888	5	108.5480	0.931	6	109.1545	1.012	15	109.4766	1.723	17	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	O(CC[6,6]HH)(CH3)	109.6650	0.000	1	108.5480	0.931	6	109.1545	1.012	15	109.4766	1.723	17	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	O(CC[6,6]HH)(CH3)	109.1525	1.050	4	109.1525	1.103	4	109.1545	1.012	15	109.4766	1.723	17	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	O(CC[6,6]HH)(CH3)	110.4100	0.000	1	110.4100	0.000	1	109.1545	1.012	15	109.4766	1.723	17	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(CC[6,6]HH)(CC[6a]HH)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	O(CC[6,6]HH)(CC[6a]HH)	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	109.4766	1.723	17	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	O(CC[6,6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(CC[6,6]HH)(CH3)	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	109.4766	1.723	17	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	O(CC[6,6]C[6a]H)(H)	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(H)	109.2573	2.253	10	109.2573	5.078	10	109.2573	5.078	10	109.1848	4.184	12	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	O(CC[6,6]C[6a]H)(H)	108.8790	0.000	1	108.8790	0.000	1	108.8220	0.006	2	109.1848	4.184	12	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	O(CC[6,6]C[6a]H)(H)	108.7650	0.000	1	108.7650	0.000	1	108.8220	0.006	2	109.1848	4.184	12	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:3:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C-4:S-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(SC[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(SC[6a]O)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C-4:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(CH3)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(CH3)	105.3995	0.078	2	105.3995	0.006	2	105.3995	0.006	2	105.0943	0.459	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C-4:S-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(SC[6a]OO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(SC[6a]OO)	104.7890	0.998	2	104.7890	0.997	2	104.7890	0.997	2	105.0943	0.459	4	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	O(CC[6,6]C[6]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6]H)(H)	110.0872	0.517	4	110.0872	0.267	4	110.3748	0.862	14	109.9347	1.248	54	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	O(CC[6,6]C[6]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6]H)(H)	110.4898	1.051	10	110.4898	1.104	10	110.3748	0.862	14	109.9347	1.248	54	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(H)	110.3680	0.000	1	110.3680	0.000	1	109.7807	1.315	40	109.9347	1.248	54	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(H)	109.7665	0.427	4	109.7665	0.182	4	109.7807	1.315	40	109.9347	1.248	54	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(H)	109.1702	0.976	6	109.1702	0.953	6	109.7807	1.315	40	109.9347	1.248	54	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6a]H)(H)	109.8888	1.240	29	109.8888	1.538	29	109.7807	1.315	40	109.9347	1.248	54	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C-4:Si-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	O(CC[6,6]C[6]H)(SiC3)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	O(CC[6,6]C[6]H)(SiC3)	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C-4:H-1:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(CC[6,6]C[6a]H)(H)	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	O(CC[6,6]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	O(CC[6,6]C[6a]2)(H)	110.5680	0.000	1	110.5680	0.000	1	109.9427	0.296	3	109.9427	0.296	3	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	O(CC[6,6]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	O(CC[6,6]C[6a]2)(H)	109.6300	0.068	2	109.6300	0.005	2	109.9427	0.296	3	109.9427	0.296	3	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[5]-4:O-2:H-1:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H)	O(CC[6,6]C[5]H)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H){2|N<3>,8|H<1>}	O(CC[6,6]C[5]H)(H)	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C-4:H-1:	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	O(CC[6,6]CH)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(CC[6,6]CH)(H)	105.7315	0.013	2	105.7315	0.000	2	105.7315	0.000	2	105.7315	0.000	2	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H)	O(CC[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(CC[6,6]CH)(H)	105.2845	0.706	4	105.2845	0.499	4	105.4024	0.443	5	106.5203	7.853	6	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	O(CC[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(CC[6,6]CH)(H)	105.8740	0.000	1	105.8740	0.000	1	105.4024	0.443	5	106.5203	7.853	6	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H)	O(CC[6,6]CH)(H)	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|H<1>,4|C<4>}	O(CC[6,6]CH)(H)	112.1100	0.000	1	112.1100	0.000	1	112.1100	0.000	1	106.5203	7.853	6	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	O(CC[6,6]CH)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(CC[6,6]CH)(H)	113.2140	0.290	3	113.2140	0.084	3	113.2140	0.084	3	113.2140	0.084	3	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[6,6]-4:C-4:C-3:O-2:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C-4:H-1:	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H)	O(CC[6,6]CC)(H)	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H){2|C<4>,2|H<1>}	O(CC[6,6]CC)(H)	109.1490	1.650	2	109.1490	2.724	2	109.1490	2.724	2	109.1490	2.724	2	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[6,6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C-4:H-1:	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO)	O(CC[6,6]CC)(H)	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(CC[6,6]CC)(H)	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5]-4:C-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	O(CC[6,6]C[5]C)(H)	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	O(CC[6,6]C[5]C)(H)	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	109.9526	5.358	155	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:3:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(CC[6a]2O)(H)	O(CC[6a]2C[6])(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(CC[6a]2O)(H){1|N<3>,4|H<1>}	O(CC[6a]2C[6])(H)	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	3:3:4:1:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(SiCCN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(SiCCN)	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	111.6025	0.680	2	111.6025	0.462	2	109.9737	8.190	3	109.9737	8.190	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	106.7160	0.000	1	106.7160	0.000	1	109.9737	8.190	3	109.9737	8.190	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	3:4:4:1:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H){1|C<4>,2|C<3>}	O(CC[6a]C[6]H)(CH3)	106.5960	1.383	2	106.5960	1.913	2	106.5960	1.913	2	106.5960	1.913	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(CC[6a]C[6]H)(H)	109.9142	0.590	5	109.9142	0.348	5	108.6578	6.088	12	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(CC[6a]C[6]H)(H)	105.8533	0.586	3	105.8533	0.343	3	108.6578	6.088	12	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	O(CC[6a]C[6]H)(H)	106.1910	0.000	1	106.1910	0.000	1	108.6578	6.088	12	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	O(CC[6a]C[6]H)(H)	111.1930	0.000	1	108.9095	10.429	2	108.6578	6.088	12	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	O(CC[6a]C[6]H)(H)	106.6260	0.000	1	108.9095	10.429	2	108.6578	6.088	12	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	O(CC[6a]C[6]H)(H)	112.7520	0.000	1	112.7520	0.000	1	108.6578	6.088	12	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	O(CC[6a]C[6]H)(H)	109.2305	1.743	4	109.2305	3.039	4	108.6458	2.651	6	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	O(CC[6a]C[6]H)(H)	107.4765	0.183	2	107.4765	0.034	2	108.6458	2.651	6	108.6538	4.719	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:3:4:4:	4:1:	C[5a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:H-1:	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	O(CC[5a]C[6]H)(H)	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	O(CC[5a]C[6]H)(H)	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6a]C[6]H)(H)	110.0285	0.029	2	110.0285	0.001	2	108.2630	4.347	11	107.4194	4.216	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	O(CC[6a]C[6]H)(H)	108.2445	2.510	2	108.2445	6.298	2	108.2630	4.347	11	107.4194	4.216	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6a]C[6]H)(H)	109.5040	2.663	2	107.7639	4.866	7	108.2630	4.347	11	107.4194	4.216	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	O(CC[6a]C[6]H)(H)	110.1620	0.000	1	107.7639	4.866	7	108.2630	4.347	11	107.4194	4.216	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	O(CC[6a]C[6]H)(H)	105.4760	0.000	1	107.7639	4.866	7	108.2630	4.347	11	107.4194	4.216	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	O(CC[6a]C[6]H)(H)	106.5670	0.618	3	107.7639	4.866	7	108.2630	4.347	11	107.4194	4.216	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	O(CC[6a]C[6]H)(H)	106.0937	1.160	7	106.0937	1.345	7	106.0937	1.345	7	107.4194	4.216	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(CCCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	O(CC[6a]C[6]H)(CCCH)	108.3430	0.252	2	108.3430	0.063	2	108.3273	0.032	3	107.4357	3.201	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	O(CC[6a]C[6]H)(CCHH)	108.2960	0.000	1	108.2960	0.000	1	108.3273	0.032	3	107.4357	3.201	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(SiSi3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	O(CC[6a]C[6]H)(SiSi3)	104.7610	0.000	1	104.7610	0.000	1	104.7610	0.000	1	107.4357	3.201	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:2:1:	4:4:4:4:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	O(CC[6a]C[6]H)(H)	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	O(CC[6a]C[6]C)(H)	104.3310	0.000	1	104.3310	0.000	1	104.3310	0.000	1	104.3310	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[6]HH)2(CC[6a]CO)(H)	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[6]HH)2(CC[6a]CO)(H){1|C<4>,4|H<1>}	O(CC[6a]C[6]C)(H)	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	2:3:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	O[6]-2:C[6]-3:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	O(CC[6]HH)(H)	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	2:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H){2|C<3>}	O(CC[6]HH)(H)	113.5435	0.030	2	113.5435	0.001	2	113.5435	0.001	2	113.5435	0.001	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	2:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	S-4:C-4:	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H){2|C<3>,2|H<1>}	O(SC[6a]OO)(CC[6]HH)	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	2:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	O(CC[6]HH)(H)	110.7218	2.715	5	110.7218	7.371	5	110.7218	7.371	5	110.7218	7.371	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:2:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C-4:H-1:	C(C[6]C[6a]O[6]2)(OH)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	O(CC[6]HH)(H)	C(C[6]C[6a]O[6]2)(OH)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O(CC[6]HH)(H)	113.4620	2.217	3	113.4620	4.916	3	113.4620	4.916	3	113.4620	4.916	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:2:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C-4:C-4:	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O(CC[6a]HH)(CC[6]HH)	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	O(CC[6]HH)(CCHH)	107.2415	0.911	2	107.2415	0.831	2	106.7832	0.540	5	108.2663	8.270	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	O(CC[6a]HH)(CC[6]HH)	106.4777	0.560	3	106.4777	0.314	3	106.7832	0.540	5	108.2663	8.270	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(SiC3)	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	108.2663	8.270	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	N[6]-3:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]N[6]O[6]H)(OC)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]N[6]O[6]H)(OC)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	O(CC[6]HH)(CCHH)	114.0920	0.000	1	114.0920	0.000	1	114.0920	0.000	1	108.2663	8.270	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:O[6]-2:C-4:C-4:	S-4:C-4:	C(C[6]C[6,6a]O[6]C)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(SC[6a]OO)(CC[6]HH)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.3645	0.013	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:2:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C-4:C-4:	C(C[6]C[6]O[6]C)(OC)(H)2	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3)	O(CC[6]HH)(CH3)	C(C[6]C[6]O[6]C)(OC)(H)2	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	O(CC[6]HH)(CH3)	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	108.3645	0.013	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(CC[6]HH)(H)	110.6825	2.951	2	110.6825	8.707	2	110.0016	4.181	5	110.3932	3.309	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[6]HH)(H)	108.9465	2.074	2	108.9465	4.301	2	110.0016	4.181	5	110.3932	3.309	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(CC[6]HH)(H)	110.7500	0.000	1	110.7500	0.000	1	110.0016	4.181	5	110.3932	3.309	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	O(CC[6]HH)(H)	109.4440	0.000	1	109.4440	0.000	1	110.3547	2.609	4	110.3932	3.309	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[6]HH)(H)	112.7730	0.000	1	112.7730	0.000	1	110.3547	2.609	4	110.3932	3.309	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[6]HH)(H)	109.6010	0.116	2	109.6010	0.013	2	110.3547	2.609	4	110.3932	3.309	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	O(CC[6]HH)(H)	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	110.3932	3.309	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(OSi)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	O(CC[6]HH)(SiC3)	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.1300	0.223	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	S[6]-3:S[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]S[6]2H)(OC)(H)2	C[6](S[6]C[6]O)2(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]S[6]2H)(OC)(H)2	C[6](S[6]C[6]O)2(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(CH3)	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	109.1300	0.223	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:3:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C-4:H-1:	C(C[6]N[6]2C)(OH)(H)2	C[6](N[6]N[6]H)2(CHHO)2	O(CC[6]HH)(H)	C(C[6]N[6]2C)(OH)(H)2	C[6](N[6]N[6]H)2(CHHO)2{1|C<4>,2|H<1>}	O(CC[6]HH)(H)	111.7255	0.561	2	111.7255	0.314	2	111.7255	0.314	2	111.7255	0.314	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	O(CC[6]HH)(H)	111.4400	0.000	1	111.4400	0.000	1	110.0683	5.466	4	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){2|H<1>,3|C<3>,3|C<4>}	O(CC[6]HH)(H)	109.6110	2.635	3	109.6110	6.944	3	110.0683	5.466	4	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	110.8957	3.154	3	110.8957	9.945	3	110.8957	9.945	3	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[6]HH)(H)	115.2460	0.000	1	115.2460	0.000	1	114.5003	1.378	3	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,2|C<4>}	O(CC[6]HH)(H)	113.1470	0.000	1	113.1470	0.000	1	114.5003	1.378	3	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[6]HH)(H)	115.1080	0.000	1	115.1080	0.000	1	114.5003	1.378	3	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	O(CC[6]HH)(H)	114.0050	0.000	1	114.0050	0.000	1	112.4086	4.407	12	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	O(CC[6]HH)(H)	109.9687	2.629	3	109.9687	6.911	3	112.4086	4.407	12	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	O(CC[6]HH)(H)	111.4690	0.404	2	111.4690	0.164	2	112.4086	4.407	12	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(CC[6]HH)(H)	113.0960	0.000	1	113.7002	0.862	4	112.4086	4.407	12	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	O(CC[6]HH)(H)	113.9017	1.024	3	113.7002	0.862	4	112.4086	4.407	12	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	O(CC[6]HH)(H)	113.4160	0.000	1	113.4160	0.000	1	112.4086	4.407	12	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	113.8370	0.000	1	113.8370	0.000	1	112.4086	4.407	12	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	O(CC[6]HH)(H)	108.7330	0.000	1	108.7330	0.000	1	110.8588	8.093	9	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(CC[6]HH)(H)	112.0373	3.694	3	111.7481	6.313	7	110.8588	8.093	9	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	O(CC[6]HH)(H)	111.5312	1.839	4	111.7481	6.313	7	110.8588	8.093	9	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(CC[6]HH)(H)	106.7590	0.000	1	106.7590	0.000	1	110.8588	8.093	9	111.7127	6.692	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	O(CC[6]HH)(CH3)	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	108.0898	2.013	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	Si-4:C-4:	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	O(SiC[6a]2C)(CC[6]HH)	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	108.0898	2.013	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	S-4:C-4:	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	O(SC[6a]OO)(CC[6]HH)	107.6260	0.000	1	107.6260	0.000	1	107.4763	0.718	3	108.0898	2.013	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	S-4:C-4:	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	O(SC[6a]OO)(CC[6]HH)	107.4015	1.184	2	107.4015	1.403	2	107.4763	0.718	3	108.0898	2.013	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]N[5,6]C[6]H)(OC)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]N[5,6]C[6]H)(OC)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	O(CC[6a]HH)(CC[6]HH)	105.7690	0.000	1	105.7690	0.000	1	105.7690	0.000	1	108.0898	2.013	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	O(CC[6a]HH)(CC[6]HH)	107.2240	0.000	1	107.2240	0.000	1	108.5012	0.907	4	108.0898	2.013	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(CC[6a]HH)(CC[6]HH)	108.9270	0.523	3	108.9270	0.273	3	108.5012	0.907	4	108.0898	2.013	10	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6]HH)(H)	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:3:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	O(CC[6]HH)(H)	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[5,6]C[6]C)(OH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]C)(OH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	O(CC[6]HH)(H)	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	113.1290	0.914	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O(CC[6]HH)(H)	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	113.1290	0.914	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2{2|C<3>,2|H<1>}	O(CC[6]HH)(H)	112.9355	1.124	2	112.9355	1.262	2	112.9355	1.262	2	113.1290	0.914	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	3:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O(CC[6a]HH)(CC[6]HH)	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(CC[6]HH)(H)	111.7126	2.360	7	111.7126	5.571	7	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	109.2340	0.000	1	109.2340	0.000	1	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(CC[6]HH)(H)	109.2930	0.000	1	110.5774	1.071	8	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[6]HH)(H)	111.6595	0.941	2	110.5774	1.071	8	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	O(CC[6]HH)(H)	109.3050	0.000	1	110.5774	1.071	8	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	110.8090	0.819	2	110.5774	1.071	8	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	110.8740	0.000	1	110.5774	1.071	8	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	110.2100	0.000	1	110.5774	1.071	8	110.9901	3.268	16	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]O[6]H)(OH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(OH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(CC[6]HH)(H)	112.0940	0.000	1	112.0940	0.000	1	112.5470	0.410	2	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]O[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	113.0000	0.000	1	113.0000	0.000	1	112.5470	0.410	2	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	110.4403	0.299	3	110.4403	0.090	3	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(CC[6]HH)(H)	111.2900	0.061	2	111.2900	0.004	2	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	O(CC[6]HH)(H)	110.3085	0.250	2	110.3085	0.062	2	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	110.2760	0.000	1	110.2760	0.000	1	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	111.2645	2.778	2	111.2645	7.719	2	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(CC[6]HH)(H)	109.4986	0.770	5	109.6720	0.654	6	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	110.5390	0.000	1	109.6720	0.654	6	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	110.2918	1.988	5	110.7905	4.654	6	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	113.2840	0.000	1	110.7905	4.654	6	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	113.5200	0.000	1	113.5200	0.000	1	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	112.1057	0.404	3	111.9175	0.250	4	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){2|C<4>,3|H<1>}	O(CC[6]HH)(H)	111.3530	0.000	1	111.9175	0.250	4	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	108.5020	0.000	1	108.5020	0.000	1	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(CC[6]HH)(H)	113.5710	0.000	3	112.5890	3.857	4	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	109.6430	0.000	1	112.5890	3.857	4	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	112.0580	1.185	5	111.7690	3.269	12	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	110.1797	1.889	3	111.7690	3.269	12	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	112.0483	2.098	3	111.7690	3.269	12	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(CC[6]HH)(H)	114.2540	0.000	1	111.7690	3.269	12	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	110.7735	2.647	2	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	O(CC[6]HH)(H)	111.5520	0.000	1	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(CC[6]HH)(H)	110.5810	0.000	1	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(CC[6]HH)(H)	111.2410	0.000	1	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	110.1290	0.000	1	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	111.2802	2.036	18	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	111.3880	0.000	1	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6]HH)(H)	111.3203	2.071	11	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O(CC[6]HH)(H)	111.1180	1.830	2	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	112.5557	2.007	3	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	111.2840	2.178	210	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	O(CC[6]HH)(H)	112.5240	0.000	1	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	111.0080	3.534	2	111.2917	4.523	254	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(CC[6]HH)(H)	111.7260	0.000	1	111.7260	0.000	1	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>}	O(CC[6]HH)(H)	113.1645	0.677	2	113.1645	0.458	2	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	O(CC[6]HH)(H)	110.9240	2.681	4	110.9240	7.186	4	111.2827	4.286	305	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]S[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]S[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	113.1005	2.730	2	113.1005	7.454	2	111.2190	6.611	6	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]S[6]H)(OH)(H)2	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]S[6]H)(OH)(H)2	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	O(CC[6]HH)(H)	110.2782	2.234	4	110.2782	4.993	4	111.2190	6.611	6	111.2750	4.238	329	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCHH)	107.5150	0.000	1	107.5150	0.000	1	107.2290	0.936	5	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[6]HH)	107.6490	0.000	1	107.6490	0.000	1	107.2290	0.936	5	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[6]HH)	108.4710	0.000	1	108.4710	0.000	1	107.2290	0.936	5	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]3)	C(C[6]C[5,6]O[6]H)(OC)(H)2	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|N<3>,3|C<4>}	O(CC[6]HH)(CC[6a]3)	106.2550	0.212	2	106.2550	0.045	2	107.2290	0.936	5	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:P-4:	C(C[6]C[5,6]O[6]H)(OP)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(PCOS)	C(C[6]C[5,6]O[6]H)(OP)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(PCOS)	109.3670	0.000	1	109.3670	0.000	1	106.8718	1.362	10	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:P-4:	C(C[6]C[5,6]O[6]H)(OP)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(PSeOS)	C(C[6]C[5,6]O[6]H)(OP)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(PSeOS)	106.5946	0.817	9	106.5946	0.668	9	106.8718	1.362	10	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5]-4:C-4:	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O(C[5]C[5]2Fe)(CC[6]HH)	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[5]C[5]2Fe)(CC[6]HH)	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6,6]O[6]H)(OC)(H)2	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6,6]O[6]H)(OC)(H)2	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(CC[6]HH)(CH3)	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|S<2>}	O(CC[6a]HH)(CC[6]HH)	109.4373	2.107	3	109.4373	4.439	3	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	109.5450	0.000	1	109.5450	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	109.6130	0.000	1	109.6130	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	O(CC[6]HH)(CH3)	106.6870	0.000	1	106.6870	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(CH3)	109.2248	3.308	16	109.2248	10.945	16	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	112.8750	0.000	1	109.9137	6.583	3	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(CC[6a]HH)(CC[6]HH)	108.4330	0.106	2	109.9137	6.583	3	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	O(CC[6]HH)(CCHH)	113.1100	0.000	1	113.1100	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6]HH)(CH3)	109.5950	0.000	1	109.5950	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(CH3)	109.9150	0.000	1	109.9150	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	107.7750	0.000	1	107.7750	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCCH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCCH)	110.0420	0.000	1	110.0420	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CCHH)	112.3790	0.000	1	109.6960	4.292	11	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(CCHH)	109.4277	1.972	10	109.6960	4.292	11	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(CC[6]HH)(CC[6a]3)	107.5610	0.000	1	107.7980	0.459	3	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CC[6a]3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CC[6a]3)	107.9165	0.913	2	107.7980	0.459	3	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(CH3)	108.9520	0.000	1	109.0971	4.888	21	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(CH3)	109.1043	2.268	20	109.0971	4.888	21	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)2	107.8220	0.000	1	108.3745	0.611	2	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)2	108.9270	0.000	1	108.3745	0.611	2	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]2C[6])(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(CC[6a]2C[6])(CC[6]HH)	109.4980	0.000	1	109.4980	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6a]HH)(CC[6]HH)	108.1680	0.000	1	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	107.6260	0.000	1	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(CC[6a]HH)(CC[6]HH)	108.2090	0.000	1	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	107.6630	0.000	1	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	111.5772	2.001	6	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	109.2480	0.000	1	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	110.5237	1.706	3	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6a]HH)(CC[6]HH)	107.9020	0.000	1	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[6]HH)	108.6608	1.428	8	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(CC[6a]HH)(CC[6]HH)	106.6290	0.000	1	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	108.3804	1.025	5	109.2299	3.726	29	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[6a]HH)(CC[6]HH)	110.3220	0.000	1	109.5710	0.459	3	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	O(CC[6a]HH)(CC[6]HH)	109.1955	0.269	2	109.5710	0.459	3	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	O(CC[6]HH)(CCHH)	107.2720	0.000	1	107.2720	0.000	1	109.2368	4.750	101	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:S-4:	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(SCOO)	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(SCOO)	109.1400	0.000	1	109.1400	0.000	1	107.8835	3.158	2	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:S-4:	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(SNOO)	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(SNOO)	106.6270	0.000	1	106.6270	0.000	1	107.8835	3.158	2	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[6]HH)(SiC3)	111.5320	0.000	1	110.8050	1.345	4	110.8050	1.345	4	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(SiC3)	109.8870	0.768	2	110.8050	1.345	4	110.8050	1.345	4	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(SiC3)	111.9140	0.000	1	110.8050	1.345	4	110.8050	1.345	4	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C-4:	C(C[6]C[6]O[6]H)(OC[5])(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[5]C[6a]O[5]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[5])(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[6a]O[5]2)(CC[6]HH)	115.9820	0.000	1	115.9820	0.000	1	115.9820	0.000	1	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C(C[6]C[6]O[6]H)(OC[6])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]O[6]H)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6]HH)	108.8268	0.684	5	108.8268	0.468	5	108.8268	0.468	5	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	S-4:C-4:	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(SC[6a]OO)(CC[6]HH)	107.8980	1.704	4	107.8980	2.904	4	107.8980	2.904	4	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(SiC[6a]2C)(CC[6]HH)	108.2040	0.000	1	108.0600	0.041	2	109.5091	1.798	7	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(SiC[6a]2C)(CC[6]HH)	107.9160	0.000	1	108.0600	0.041	2	109.5091	1.798	7	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(SiC[6a]2C)(CC[6]HH)	111.1860	0.000	1	111.1860	0.000	1	109.5091	1.798	7	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(SiC[6a]2C)(CC[6]HH)	109.7185	1.146	2	109.7185	1.314	2	109.5091	1.798	7	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	O(SiC[6a]2C)(CC[6]HH)	109.9105	1.418	2	109.9105	2.010	2	109.5091	1.798	7	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:Se[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]Se[6]C[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]Se[6]C[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	O(CC[6a]HH)(CC[6]HH)	107.4270	1.045	2	107.4270	1.092	2	107.4270	1.092	2	109.0188	4.741	143	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:C-2:	C-4:H-1:	C(C[6]C[5,6]O[6]C)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	O(CC[6]HH)(H)	C(C[6]C[5,6]O[6]C)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(CC[6]HH)(H)	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.5248	3.833	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	O(CC[6]HH)(H)	112.7045	2.453	2	112.7045	6.017	2	111.5645	4.159	12	111.5248	3.833	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	110.5620	0.000	1	110.5620	0.000	1	111.5645	4.159	12	111.5248	3.833	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	113.1155	0.499	2	113.1155	0.249	2	111.5645	4.159	12	111.5248	3.833	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	111.0130	2.370	6	110.9389	4.721	7	111.5645	4.159	12	111.5248	3.833	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	110.4940	0.000	1	110.9389	4.721	7	111.5645	4.159	12	111.5248	3.833	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:H-1:	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	O(CC[6]HH)(H)	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	O(CC[6]HH)(H)	111.9330	0.310	2	111.9330	0.096	2	112.3402	0.180	6	112.3402	0.180	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:2:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:H-1:	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2{1|H<1>,3|C<4>}	O(CC[6]HH)(H)	112.5437	0.321	4	112.5437	0.103	4	112.3402	0.180	6	112.3402	0.180	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:3:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C-4:H-1:	C(C[6]C[3x6]C[6]2)(OH)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	O(CC[6]HH)(H)	C(C[6]C[3x6]C[6]2)(OH)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O(CC[6]HH)(H)	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:3:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C-4:C-4:	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	O(CC[6]HH)(CH3)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	O(CC[6]HH)(CH3)	109.0195	0.726	2	109.0195	0.527	2	109.0195	0.527	2	109.0195	0.527	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6]HH)(H)	110.6520	0.000	1	110.6520	0.000	1	109.0607	2.772	7	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	O(CC[6]HH)(H)	107.0120	0.000	1	107.0120	0.000	1	109.0607	2.772	7	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6]HH)(H)	109.1522	1.570	5	109.1522	2.465	5	109.0607	2.772	7	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:N[6,6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(CC[6]HH)(H)	116.6380	1.054	2	116.6380	1.110	2	116.6380	1.110	2	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H){2|H<1>,3|C<4>}	O(CC[6]HH)(H)	111.0540	4.069	2	111.0540	16.554	2	111.8808	8.629	6	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]HH)(H)	108.6310	0.000	1	111.9763	11.662	3	111.8808	8.629	6	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	O(CC[6]HH)(H)	111.8410	0.000	1	111.9763	11.662	3	111.8808	8.629	6	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	115.4570	0.000	1	111.9763	11.662	3	111.8808	8.629	6	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	O(CC[6]HH)(H)	113.2480	0.000	1	113.2480	0.000	1	111.8808	8.629	6	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(CC[6]HH)(H)	110.3675	1.471	2	110.3675	2.165	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[6]HH)(H)	109.6955	1.218	2	109.6955	1.484	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	O(CC[6]HH)(H)	113.0310	0.000	1	113.0310	0.000	1	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	O(CC[6]HH)(H)	112.2250	0.000	1	112.2250	0.000	1	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,3|C<3>}	O(CC[6]HH)(H)	110.4570	0.000	1	112.3604	1.179	5	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	O(CC[6]HH)(H)	113.0210	0.205	2	112.3604	1.179	5	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[6]HH)(H)	112.6515	0.094	2	112.3604	1.179	5	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	O(CC[6]HH)(H)	109.3380	0.000	1	108.8535	0.469	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	O(CC[6]HH)(H)	108.3690	0.000	1	108.8535	0.469	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	O(CC[6]HH)(H)	109.9420	1.157	2	109.9420	1.338	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	110.8023	0.926	3	110.0630	2.758	4	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(H)	107.8450	0.000	1	110.0630	2.758	4	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	O(CC[6]HH)(H)	108.1560	0.694	2	108.1560	0.482	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H){1|O<2>,2|H<1>,2|O<1>}	O(CC[6]HH)(H)	111.3210	0.115	2	111.3210	0.013	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	O(CC[6]HH)(H)	110.5680	0.000	2	110.5680	0.000	2	110.6047	2.743	25	110.8276	5.743	40	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5]-4:C-4:	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H)	O(C[5]C[5]O[5]H)(CC[6]HH)	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H){3|C<4>,3|H<1>}	O(C[5]C[5]O[5]H)(CC[6]HH)	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[6]HH)(CH3)	107.2320	0.000	1	107.2320	0.000	1	108.4316	4.633	7	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	108.0465	1.090	2	108.0465	1.187	2	108.4316	4.633	7	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	O(CC[6]CH)(CC[6]HH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H){3|H<1>,4|C<4>}	O(CC[6]CH)(CC[6]HH)	113.0980	0.000	1	113.0980	0.000	1	108.4316	4.633	7	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	107.8350	0.361	2	107.8350	0.130	2	108.4316	4.633	7	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6a]HH)(CC[6]HH)	106.9280	0.000	1	106.9280	0.000	1	108.4316	4.633	7	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:S-4:	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	O(CC[6]HH)(SNOO)	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	O(CC[6]HH)(SNOO)	113.8350	0.270	2	109.9175	20.936	4	109.9175	20.936	4	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:S-4:	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	O(CC[6]HH)(SNOO)	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(SNOO)	106.8210	0.000	1	109.9175	20.936	4	109.9175	20.936	4	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:S-4:	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	O(CC[6]HH)(SNOO)	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	O(CC[6]HH)(SNOO)	105.1790	0.000	1	109.9175	20.936	4	109.9175	20.936	4	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(SiC3)	113.3620	0.218	2	113.3620	0.047	2	113.3620	0.047	2	110.0404	12.078	14	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[5,6]2C)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[5,6]2C)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(CC[6]HH)(H)	113.9905	1.336	2	113.9905	1.784	2	113.9905	1.784	2	111.8622	8.591	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO)	O(CC[6]HH)(H)	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O(CC[6]HH)(H)	113.8240	0.000	1	113.8240	0.000	1	113.8240	0.000	1	111.8622	8.591	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(CC[6]HH)(H)	109.1650	0.000	1	109.1650	0.000	1	108.7530	0.339	2	111.8622	8.591	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3){1|C<3>,2|C<4>,5|H<1>}	O(CC[6]HH)(H)	108.3410	0.000	1	108.3410	0.000	1	108.7530	0.339	2	111.8622	8.591	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(CC[6]HH)(H)	110.5865	1.394	2	110.5865	1.942	2	110.5865	1.942	2	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[4,6]C[6]H)(OH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[4,6]C[6]H)(OH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6]HH)(H)	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H){4|C<4>,4|H<1>}	O(CC[6]HH)(H)	112.9657	1.613	3	112.9657	2.601	3	111.9430	3.265	5	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){4|H<1>,5|C<4>}	O(CC[6]HH)(H)	110.4090	0.126	2	110.4090	0.016	2	111.9430	3.265	5	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<3>,3|C<4>,3|H<1>}	O(CC[6]HH)(H)	111.2030	0.000	1	111.2030	0.000	1	111.2030	0.000	1	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	112.7160	0.000	1	112.7160	0.000	1	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(CC[6]HH)(H)	110.4970	0.000	1	110.4970	0.000	1	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|N<3>,3|C<4>}	O(CC[6]HH)(H)	112.6410	0.000	1	112.6410	0.000	1	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(CC[6]HH)(H)	113.0670	0.000	1	111.8385	3.018	2	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|N<3>,2|O<1>,4|C<3>}	O(CC[6]HH)(H)	110.6100	0.000	1	111.8385	3.018	2	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(CC[6]HH)(H)	111.2740	0.000	1	111.2740	0.000	1	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|O<2>,4|C<4>,6|H<1>}	O(CC[6]HH)(H)	111.2080	0.000	1	111.2080	0.000	1	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H){1|H<1>,4|C<4>}	O(CC[6]HH)(H)	110.8910	0.000	1	110.8910	0.000	1	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	O(CC[6]HH)(H)	111.8540	0.000	1	113.3240	4.322	2	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	O(CC[6]HH)(H)	114.7940	0.000	1	113.3240	4.322	2	111.9552	1.827	10	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(CC[6]HH)(H)	112.2660	0.000	1	112.1990	0.009	2	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|O<2>,3|C<4>,7|H<1>}	O(CC[6]HH)(H)	112.1320	0.000	1	112.1990	0.009	2	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(CC[6]HH)(H)	111.8820	0.000	1	111.8820	0.000	1	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	O(CC[6]HH)(H)	110.6900	0.000	1	111.0003	1.880	3	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(CC[6]HH)(H)	112.5000	0.000	1	111.0003	1.880	3	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	O(CC[6]HH)(H)	109.8110	0.000	1	111.0003	1.880	3	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H){3|C<4>,7|H<1>}	O(CC[6]HH)(H)	113.3815	0.251	2	113.3815	0.063	2	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H){1|O<2>,2|C<4>,8|H<1>}	O(CC[6]HH)(H)	114.5710	0.000	1	114.5710	0.000	1	112.2906	2.074	9	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C-4:H-1:	C(C[6]C[6]2Cl)(OH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl)	O(CC[6]HH)(H)	C(C[6]C[6]2Cl)(OH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl){1|C<4>,4|H<1>}	O(CC[6]HH)(H)	112.4125	1.119	2	112.4125	1.253	2	112.4125	1.253	2	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	O(CC[6]HH)(H)	111.1530	0.000	1	111.1530	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	O(CC[6]HH)(H)	112.8130	1.378	3	112.8130	1.900	3	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	O(CC[6]HH)(H)	113.5740	0.000	1	113.5740	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O(CC[6]HH)(H)	114.4040	0.000	1	111.7750	13.823	2	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[6]HH)(H)	109.1460	0.000	1	111.7750	13.823	2	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(CC[6]HH)(H)	107.5140	0.000	1	107.5140	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,5|C<3>}	O(CC[6]HH)(H)	113.4815	0.422	2	113.4815	0.178	2	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>}	O(CC[6]HH)(H)	109.6425	0.175	2	111.0537	5.989	3	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	O(CC[6]HH)(H)	113.8760	0.000	1	111.0537	5.989	3	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)2(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	110.0880	0.000	1	110.0880	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	O(CC[6]HH)(H)	112.3990	0.000	1	112.3990	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[6]HH)(H)	112.4025	0.487	2	112.4025	0.237	2	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	O(CC[6]HH)(H)	112.4720	0.000	1	112.4720	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	O(CC[6]HH)(H)	108.4450	0.000	1	108.4450	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	O(CC[6]HH)(H)	114.6170	0.000	1	114.6170	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	O(CC[6]HH)(H)	112.1630	0.000	1	112.1630	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[6]HH)(H)	108.9450	0.000	1	108.9450	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(CC[6]HH)(H)	112.8060	0.000	1	112.8060	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[6]HH)(H)	112.6865	0.243	2	112.6865	0.059	2	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(H)	112.6464	1.854	5	111.9884	6.371	8	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,2|C<3>,2|H<1>}	O(CC[6]HH)(H)	109.1970	0.000	1	111.9884	6.371	8	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	O(CC[6]HH)(H)	111.7390	4.557	2	111.9884	6.371	8	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<3>}	O(CC[6]HH)(H)	109.9610	0.000	1	109.9610	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	O(CC[6]HH)(H)	108.2470	0.000	1	109.2367	1.308	3	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	O(CC[6]HH)(H)	109.7315	1.071	2	109.2367	1.308	3	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	O(CC[6]HH)(H)	113.0030	0.000	1	113.0030	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	O(CC[6]HH)(H)	112.7085	1.053	4	112.7085	1.108	4	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	O(CC[6]HH)(H)	109.8020	0.000	1	109.8020	0.000	1	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	O(CC[6]HH)(H)	111.6340	0.042	2	111.6340	0.002	2	111.7100	4.075	45	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[6]HH)(H)	110.3650	0.000	1	110.3650	0.000	1	109.3620	2.012	2	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	108.3590	0.000	1	108.3590	0.000	1	109.3620	2.012	2	111.7613	3.295	77	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[3,6]C[6]H)(OC)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	O(CC[6]HH)(CH3)	C(C[6]C[3,6]C[6]H)(OC)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]HH)(CH3)	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[4,6]C[6]H)(OSi)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[4,6]C[6]H)(OSi)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[6]HH)(SiC3)	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	O(CC[6]HH)(SiC3)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6]HH)(SiC3)	108.5890	0.000	1	108.5890	0.000	1	109.2765	0.472	4	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	O(CC[6]HH)(SiC3)	109.9740	0.000	1	109.9740	0.000	1	109.2765	0.472	4	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CC[6]HH)(SiC3)	109.7500	0.000	1	109.2715	0.458	2	109.2765	0.472	4	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(SiC3)	108.7930	0.000	1	109.2715	0.458	2	109.2765	0.472	4	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	O(CC[6]HH)(CHHO)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	O(CC[6]HH)(CHHO)	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	112.8045	0.074	2	112.8045	0.006	2	110.6713	7.615	6	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	113.8790	0.000	1	113.8790	0.000	1	110.6713	7.615	6	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)2(CHHO)(H)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	107.9860	0.000	1	107.9860	0.000	1	110.6713	7.615	6	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(CC[6]HH)(CCHH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(CCHH)	108.2770	0.052	2	108.2770	0.003	2	110.6713	7.615	6	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]HH)(SiC3)	109.1690	0.000	1	109.1690	0.000	1	110.3028	4.412	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	O(CC[6]HH)(SiC3)	108.8680	0.000	1	108.8680	0.000	1	110.3028	4.412	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CC)2(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	O(CC[6]HH)(SiC3)	113.2290	0.000	1	113.2290	0.000	1	110.3028	4.412	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	O(CC[6]HH)(SiC3)	111.8090	0.000	1	111.8090	0.000	1	110.3028	4.412	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)2(CHHO)(H)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(CC[6]HH)(SiC3)	108.4390	0.000	1	108.4390	0.000	1	110.3028	4.412	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	S-4:C-4:	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[5,6]HH)2(CHHO)(H)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[5,6]HH)2(CHHO)(H){1|N<4>,2|C<4>,2|H<1>}	O(SC[6a]OO)(CC[6]HH)	107.5980	0.000	1	107.5980	0.000	1	108.7312	1.163	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	S-4:C-4:	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	O(SC[6a]OO)(CC[6]HH)	109.2160	1.131	3	109.2160	1.279	3	108.7312	1.163	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	S-4:C-4:	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O(SC[6a]OO)(CC[6]HH)	108.4100	0.000	1	108.4100	0.000	1	108.7312	1.163	5	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(SiC[6a]2C)(CC[6]HH)	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	109.6275	3.627	25	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	O(CC[6]HH)(H)	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[5,6]C[6]O)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]O)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	O(CC[6]HH)(H)	113.7130	0.000	1	113.7130	0.000	1	113.0915	0.773	2	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[5,6]C[6]O)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[5,6]C[6]O)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	O(CC[6]HH)(H)	112.4700	0.000	1	112.4700	0.000	1	113.0915	0.773	2	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6,6]C[6]O)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]O)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(H)	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	O(CC[6]HH)(H)	113.3100	0.000	1	113.3100	0.000	1	111.3180	8.248	4	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]HH)(H)	110.4670	0.000	1	110.4670	0.000	1	111.3180	8.248	4	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]HH)(H)	113.8620	0.000	1	113.8620	0.000	1	111.3180	8.248	4	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	O(CC[6]HH)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	O(CC[6]HH)(H)	107.6330	0.000	1	107.6330	0.000	1	111.3180	8.248	4	111.8601	4.253	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:2:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:C-4:	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	O(CC[6a]HH)(CC[6]HH)	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:3:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	O(CC[6]HH)(H)	107.2690	0.000	1	107.2690	0.000	1	109.1650	7.190	2	109.1650	7.190	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:3:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	O(CC[6]HH)(H)	111.0610	0.000	1	111.0610	0.000	1	109.1650	7.190	2	109.1650	7.190	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:3:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:C-4:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO){2|H<1>,3|C<4>}	O(CC[6a]HH)(CC[6]HH)	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	107.6000	0.293	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:3:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C-4:C-4:	C(C[6]C[6]2N)(OC)(H)2	C[6](C[6]O[6]HH)2(CHHO)(NCH)	O(CC[6]HH)(CSnHH)	C(C[6]C[6]2N)(OC)(H)2	C[6](C[6]O[6]HH)2(CHHO)(NCH){1|C<4>}	O(CC[6]HH)(CSnHH)	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.6000	0.293	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(H)	111.9410	3.422	2	111.9410	11.713	2	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(CC[6]HH)(H)	112.4500	0.000	1	112.8510	2.468	15	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(H)	111.3960	1.454	4	112.8510	2.468	15	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(CC[6]HH)(H)	112.5810	0.000	1	112.8510	2.468	15	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	O(CC[6]HH)(H)	113.5722	1.361	9	112.8510	2.468	15	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(CC[6]HH)(H)	111.3358	1.979	4	112.9091	2.441	16	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	O(CC[6]HH)(H)	113.4336	1.029	12	112.9091	2.441	16	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2{1|O<2>,3|H<1>,4|C<4>}	O(CC[6]HH)(H)	111.7740	4.011	2	111.7740	16.086	2	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	O(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	O(CC[6]HH)(H)	111.6470	0.000	1	111.6470	0.000	1	112.7330	2.970	36	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2{1|C<3>,1|C<4>,3|H<1>}	O(CC[6]HH)(H)	113.6660	0.625	2	113.6660	0.391	2	112.4304	1.897	21	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]FH)2(CHHO)(CH3)	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	O(CC[6]HH)(H)	110.9290	0.348	2	110.9290	0.121	2	112.4304	1.897	21	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	O(CC[6]HH)(H)	115.1420	0.000	1	115.1420	0.000	1	112.4304	1.897	21	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2{2|H<1>,3|C<4>}	O(CC[6]HH)(H)	112.3885	1.980	4	112.3885	3.919	4	112.4304	1.897	21	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|O<1>}	O(CC[6]HH)(H)	113.3555	0.326	2	113.3555	0.106	2	112.4304	1.897	21	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]O[6]HH)2(CHHO)2	O(CC[6]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	O(CC[6]HH)(H)	112.0442	0.909	10	112.0442	0.826	10	112.4304	1.897	21	112.6215	2.555	57	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	O(CC[6]HH)(CH3)	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(CC[6]HH)(CH3)	108.9783	0.335	3	108.9783	0.112	3	108.9783	0.112	3	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	O(CC[6]HH)(CH3)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(CC[6]HH)(CH3)	109.8720	0.000	1	109.8720	0.000	1	111.9560	8.686	2	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	O(CC[6]HH)(CH3)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(CC[6]HH)(CH3)	114.0400	0.000	1	114.0400	0.000	1	111.9560	8.686	2	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(CC[6]HH)(CH3)	110.5190	0.701	6	110.5190	0.492	6	109.9294	1.571	8	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	O(CC[6]HH)(CH3)	108.4750	0.000	1	108.4750	0.000	1	109.9294	1.571	8	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	O(CC[6a]HH)(CC[6]HH)	107.8460	0.000	1	107.8460	0.000	1	109.9294	1.571	8	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:Si-4:	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	O(CC[6]HH)(SiC3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]HH)(SiC3)	111.8440	0.000	1	111.8440	0.000	1	111.6147	0.148	3	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:Si-4:	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(CC[6]HH)(SiC3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	O(CC[6]HH)(SiC3)	111.5000	0.465	2	111.5000	0.216	2	111.6147	0.148	3	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]FH)2(CHHO)(CH3)	O(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	109.8000	0.000	1	109.8000	0.000	1	109.0650	0.450	5	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]O[6]HH)2(CCHH)(CHHO)	O(CC[6]HH)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]O[6]HH)2(CCHH)(CHHO){1|B<3>}	O(CC[6]HH)2	108.8812	0.613	4	108.8812	0.375	4	109.0650	0.450	5	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:Si-4:	C(C[6]C[6]2C)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2C)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	O(CC[6]HH)(SiC3)	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	P[6]-4:C-4:	C(C[6]C[6]2C)(OP[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2	O(P[6]N[6]2Cl)(CC[6]HH)	C(C[6]C[6]2C)(OP[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|P<4>}	O(P[6]N[6]2Cl)(CC[6]HH)	112.5905	0.848	4	112.5905	0.720	4	112.5905	0.720	4	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	S-4:C-4:	C(C[6]C[6]2C)(OS)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2C)(OS)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	O(SC[6a]OO)(CC[6]HH)	109.0430	0.192	2	109.0430	0.037	2	109.0430	0.037	2	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:P-4:C-4:	C-4:C-4:	C(C[6]C[6]2P)(OC)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Mo)(CHHO)	O(CC[6]HH)(CH3)	C(C[6]C[6]2P)(OC)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Mo)(CHHO){2|P<4>,3|C<4>}	O(CC[6]HH)(CH3)	109.2583	0.827	3	109.2583	0.684	3	109.2583	0.684	3	110.2867	2.709	31	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	2:4:4:4:	4:4:	C[6]-4:O-2:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C-4:C-4:	C(C[6]C[6]O[6]C)(OC)2(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	O(CC[6]HO)(CH3)	C(C[6]C[6]O[6]C)(OC)2(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	O(CC[6]HO)(CH3)	108.3805	3.604	2	108.3805	12.990	2	108.3805	12.990	2	108.3805	12.990	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	3:3:4:1:	4:4:	C[6]-4:O-2:O-2:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6]C)2(CHOO)(H)	O(CC[6]HO)(CH3)	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6]C)2(CHOO)(H){1|N<3>,2|H<1>}	O(CC[6]HO)(CH3)	110.0870	2.353	2	110.0870	5.538	2	110.0870	5.538	2	110.0870	5.538	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:2:4:1:	4:1:	C[6]-4:O-2:O-2:H-1:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	O(CC[6]HO)(H)	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O(CC[6]HO)(H)	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:2:4:1:	4:2:	C[6]-4:O-2:O-2:H-1:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C-4:O-2:	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	O(CC[6]HO)(OC)	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O(CC[6]HO)(OC)	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:3:4:1:	4:4:	C[6]-4:C-2:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(CH3)	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H){1|O<1>,3|C<4>,6|H<1>}	O(CC[6]CH)(CH3)	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.3525	0.117	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:3:4:1:	4:4:	C[6]-4:C-2:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CC)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	O(CC[6]CH)(CHHO)	C(C[6]C[6]N[6]H)(CC)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	O(CC[6]CH)(CHHO)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.3525	0.117	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:C-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CC[6]CH)(H)	107.3410	0.547	2	107.3410	0.300	2	107.3410	0.300	2	107.3410	0.300	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O-2:C-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CC[6]CH)(SiC3)	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	109.0818	5.357	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O-2:O-2:H-1:	C[4,5,6,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H)	O(CC[6]HO)(CH3)	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	O(CC[6]HO)(CH3)	109.6585	4.057	2	109.6585	16.457	2	109.6585	16.457	2	109.0818	5.357	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	O(CC[6]HO)(CH3)	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	O(CC[6]HO)(CH3)	108.8985	1.903	2	108.8985	3.621	2	108.8985	3.621	2	109.0818	5.357	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	2:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	O(CC[6a]C[6]H)(H)	108.7430	0.368	2	108.7430	0.135	2	108.7430	0.135	2	108.1685	3.462	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	2:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	O[6]-2:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	O(CC[6a]C[6]H)(H)	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	108.1685	3.462	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	2:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	S[6]-2:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H){1|H<1>,2|C<3>}	O(CC[6a]C[6]H)(H)	105.4810	0.000	1	105.4810	0.000	1	105.4810	0.000	1	108.1685	3.462	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	2:4:4:4:	4:1:	C[6]-4:C-3:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	O(CC[6]CH)(H)	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:3:4:4:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO)	O(CC[6]CH)(H)	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO){1|C<4>,2|H<1>,4|C<3>}	O(CC[6]CH)(H)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:N[6]-2:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	O(CC[6a]C[6]H)(H)	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	108.6110	5.252	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	O(CC[6a]C[6]H)(H)	110.5980	0.000	1	110.5980	0.000	1	109.8645	1.076	2	108.6110	5.252	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:O[6]-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	O(CC[6a]C[6]H)(H)	109.1310	0.000	1	109.1310	0.000	1	109.8645	1.076	2	108.6110	5.252	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:2:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-3:C-4:N[6]-2:C-4:	C-4:H-1:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	O(CC[6a]C[6]H)(H)	107.6035	3.367	2	107.6035	11.334	2	107.6035	11.334	2	107.6035	11.334	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[6]CH)(H)	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	110.9253	1.218	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	O(CC[6]CH)(H)	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	110.9253	1.218	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCC)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCC)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	O(CC[6]CH)(H)	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	110.9253	1.218	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]C[6]H)(H)	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.9253	1.218	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:4:1:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(COO)(OSi)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(COO)(OSi)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]CH)(SiC3)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	3:4:4:4:	4:1:	C[6]-4:C[5a]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	O(CC[5a]C[6]H)(H)	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(CC[5a]C[6]H)(H)	105.8440	0.000	1	105.8440	0.000	1	105.8440	0.000	1	105.8440	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:2:4:1:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6]CH)	106.8410	0.000	1	106.8410	0.000	1	106.8410	0.000	1	106.8410	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:2:4:3:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:N-3:	C-4:Si-4:	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	O(CC[6]CH)(SiC3)	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	O(CC[6]CH)(SiC3)	107.0230	0.740	4	107.0230	0.548	4	107.0230	0.548	4	107.0230	0.548	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:2:4:4:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	S-4:C-4:	C(C[6]C[6]O[6]C)(COO)(OS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	O(SC[6a]OO)(CC[6]CH)	C(C[6]C[6]O[6]C)(COO)(OS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	O(SC[6a]OO)(CC[6]CH)	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	106.6403	0.169	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:Si-4:	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	O(CC[6]2H)(SiC3)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]2H)(SiC3)	106.7145	0.552	2	106.7145	0.305	2	106.7145	0.305	2	106.6403	0.169	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	O(CC[6]CH)(H)	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	110.3397	6.470	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	110.3397	6.470	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	O(CC[6a]C[6]H)(H)	109.7064	2.971	5	109.7064	8.825	5	109.7064	8.825	5	110.3397	6.470	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	O(CC[6a]C[6]H)(H)	108.9430	0.000	1	108.9430	0.000	1	110.5655	5.265	2	110.3397	6.470	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	O(CC[6a]C[6]H)(H)	112.1880	0.000	1	112.1880	0.000	1	110.5655	5.265	2	110.3397	6.470	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	O(CC[6a]C[6]H)(H)	111.5620	0.000	1	111.5620	0.000	1	110.8815	10.902	4	110.3397	6.470	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	O(CC[6a]C[6]H)(H)	110.6547	4.006	3	110.6547	16.045	3	110.8815	10.902	4	110.3397	6.470	13	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	O(CC[6]CH)(CCHH)	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	O(CC[6]CH)(CCHH)	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	108.6760	7.084	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(CH3)	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	108.6760	7.084	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:1:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	O(CC[6]CH)(SiC3)	107.4260	1.387	2	107.4260	1.925	2	107.4260	1.925	2	108.6760	7.084	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:3:4:4:	4:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C-4:C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	O(CC[6a]C[6]H)(CH3)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	O(CC[6a]C[6]H)(CH3)	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6a]C[6]H)(H)	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	O(CC[6]CH)(H)	111.5000	0.000	1	113.2847	3.091	3	113.2847	3.091	3	111.5890	8.054	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	114.1770	1.185	2	113.2847	3.091	3	113.2847	3.091	3	111.5890	8.054	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	O(CC[6]CH)(H)	105.3080	0.000	1	105.3080	0.000	1	110.5716	9.098	5	111.5890	8.054	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	111.8875	0.766	4	111.8875	0.587	4	110.5716	9.098	5	111.5890	8.054	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(CHHO)	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(CC[6]CH)(CHHO)	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	107.2543	1.665	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCH)(OSi)(H)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CCH)(OSi)(H)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	O(CC[6]CH)(SiC3)	107.9955	0.183	2	107.9955	0.034	2	107.9955	0.034	2	107.2543	1.665	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	O(CC[6]CH)(H)	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6]-4:C-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	O(CC[6]CH)(H)	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	O(CC[6a]2C[6])(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CC[6a]2C[6])(H)	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	3:4:4:1:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]2C[6])(SiC3)	103.8200	0.000	1	103.8200	0.000	1	103.8280	0.000	2	103.4023	0.544	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	3:4:4:1:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]2C[6])(SiC3)	103.8360	0.000	1	103.8360	0.000	1	103.8280	0.000	2	103.4023	0.544	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	3:4:4:1:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	N[5,6]-3:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	O(CC[6a]2C[6])(SiC3)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6a]2C[6])(SiC3)	102.5510	0.000	1	102.5510	0.000	1	102.5510	0.000	1	103.4023	0.544	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	3:4:4:4:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C-4:Si-4:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]2C[6])(SiC3)	103.5260	0.000	1	103.5260	0.000	1	103.5260	0.000	1	103.5260	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6]-4:C-3:C-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCH)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CCH)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	O(CC[6]CC)(H)	112.2245	0.245	2	112.2245	0.060	2	112.2850	0.041	3	108.2780	21.560	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6]-4:C-3:C-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H){1|C<4>,4|H<1>}	O(CC[6]CC)(H)	112.4060	0.000	1	112.4060	0.000	1	112.2850	0.041	3	108.2780	21.560	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	O(CC[6a]2C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	O(CC[6a]2C[6])(H)	108.6180	0.165	2	108.6180	0.027	2	105.2728	14.994	4	108.2780	21.560	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	O(CC[6a]2C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	O(CC[6a]2C[6])(H)	102.2380	0.000	1	102.2380	0.000	1	105.2728	14.994	4	108.2780	21.560	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	O(CC[6a]2C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	O(CC[6a]2C[6])(H)	101.6170	0.000	1	101.6170	0.000	1	105.2728	14.994	4	108.2780	21.560	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	O(CC[6a]2C[6])(CH3)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	O(CC[6a]2C[6])(CH3)	101.7760	0.000	1	101.7760	0.000	1	101.7760	0.000	1	105.9518	12.201	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	O(CC[6a]2C[6])(SiC3)	108.8215	0.499	2	108.8215	0.249	2	107.3437	6.676	3	105.9518	12.201	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:3:4:1:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	O(CC[6a]2C[6])(SiC3)	104.3880	0.000	1	104.3880	0.000	1	107.3437	6.676	3	105.9518	12.201	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	O(CC[6a]2C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H){1|C<4>,2|H<1>}	O(CC[6a]2C[6])(H)	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:4:2:1:	4:4:	C[6]-4:C[6a]-3:C-3:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C-4:Si-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	O(CC[6a]C[6]C)(SiC3)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H){2|C<3>,2|H<1>}	O(CC[6a]C[6]C)(SiC3)	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:3:2:	4:4:2:2:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C-4:O[6]-2:N-2:	C-4:Si-4:	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	O(CC[6a]2C[6])(SiC3)	104.8210	0.000	1	104.8210	0.000	1	104.8210	0.000	1	104.8210	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	O(CC[6a]C[6]C)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,4|H<1>}	O(CC[6a]C[6]C)(H)	108.5070	1.362	2	108.5070	1.855	2	108.9323	1.470	3	108.9323	1.470	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:C-4:O[6]-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	O(CC[6a]C[6]C)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,2|H<1>}	O(CC[6a]C[6]C)(H)	109.7830	0.000	1	109.7830	0.000	1	108.9323	1.470	3	108.9323	1.470	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:3:4:2:	4:4:2:1:	4:4:	C[6]-4:C[6a]-3:C-4:O-2:	C[3x6]-4:C-4:O[6]-2:H-1:	C-4:C-4:	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	O(CC[6a]C[6]C)(CH3)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H){1|O<2>,2|H<1>,5|C<4>}	O(CC[6a]C[6]C)(CH3)	104.9120	0.000	1	104.9120	0.000	1	104.9120	0.000	1	104.9120	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:2:4:1:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	S[6]-2:S[6]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[6](S[6]C[6])2(CC[5]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[6](S[6]C[6])2(CC[5]HO)(H){1|C<4>,4|H<1>}	O(CC[5]C[6]H)(H)	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:2:4:4:	4:4:	C[6]-4:C-4:O-2:H-1:	S[6]-2:S[6]-2:C-4:C-4:	C-4:Si-4:	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C[6](S[6]C[6])2(CCHO)(CH3)	O(CC[6]CH)(SiC3)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C[6](S[6]C[6])2(CCHO)(CH3){1|C<4>,4|H<1>}	O(CC[6]CH)(SiC3)	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	O(CC[6]CH)(H)	110.4215	1.119	4	110.4215	1.253	4	110.4215	1.253	4	109.7946	2.905	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-2:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H){2|C<4>}	O(CC[6]2H)(H)	107.2870	0.000	1	107.2870	0.000	1	107.2870	0.000	1	109.7946	2.905	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O(CC[6]CH)(H)	106.7890	0.000	1	106.7890	0.000	1	109.3250	5.207	6	109.3250	5.207	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	O(CC[6]CH)(H)	109.8322	2.140	5	109.8322	4.580	5	109.3250	5.207	6	109.3250	5.207	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:H-1:	S-4:C-4:	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	O(SC[6a]OO)(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	O(SC[6a]OO)(CC[6]CH)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	O(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	O(CC[5]C[6]H)(H)	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:2:4:1:	4:1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-3:N[6]-2:C-4:H-1:	C-4:H-1:	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H)	O(CC[3]C[6]H)(H)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H){1|C<4>,1|O<2>}	O(CC[3]C[6]H)(H)	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	108.0070	2.230	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-3:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[5]C[6]H)(H)	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	108.0070	2.230	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H){1|Mo<8>,1|C<4>,2|H<1>}	O(CC[6]CH)(H)	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:3:4:1:	4:4:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	O(CC[5]C[6]H)(SiC3)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	O(CC[5]C[6]H)(SiC3)	109.3545	0.108	2	109.3545	0.012	2	109.3545	0.012	2	109.3545	0.012	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	O(CC[6]CH)(H)	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	107.8840	12.308	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H){2|C<3>}	O(CC[6]CH)(H)	105.1370	0.000	1	105.1370	0.000	1	105.1370	0.000	1	107.8840	12.308	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:P-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	O(CC[6]HP)(H)	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[6]HP)(H)	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	107.8840	12.308	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	O(CC[3]C[6]H)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[3]C[6]H)(H)	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	110.9776	1.618	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(CCHH)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CCHH)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(H)	111.7540	0.000	1	111.7540	0.000	1	110.8803	2.094	4	110.9776	1.618	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,2|H<1>}	O(CC[6]CH)(H)	110.5890	1.623	3	110.5890	2.633	3	110.8803	2.094	4	110.9776	1.618	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:N[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6]CH)(H)	111.2035	0.213	4	111.2035	0.045	4	111.2035	0.045	4	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	105.1150	0.000	1	105.1150	0.000	1	105.1150	0.000	1	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	O(CC[6]CH)(H)	110.3260	0.000	1	110.3260	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	109.9150	0.000	1	109.9150	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|N<3>,1|O<1>,2|H<1>}	O(CC[6]CH)(H)	107.7480	0.000	1	107.7480	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	110.6130	0.000	1	110.6130	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]CH)(H)	110.7860	0.000	1	110.7860	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	O(CC[6]CH)(H)	110.9827	1.454	3	110.9827	2.113	3	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	O(CC[6]CH)(H)	111.6770	0.000	1	111.6770	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	O(CC[6]CH)(H)	109.6210	0.000	1	109.6210	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	O(CC[6]CH)(H)	111.9040	0.000	1	111.9040	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,3|H<1>}	O(CC[6]CH)(H)	107.0520	0.000	1	107.0520	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H){2|C<3>,2|H<1>}	O(CC[6]CH)(H)	110.0075	1.298	2	110.0075	1.684	2	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	O(CC[6]CH)(H)	111.5840	0.000	1	111.5840	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(CC[6]CH)(H)	111.2180	0.000	1	111.2180	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]CH)(H)	108.4990	0.000	1	108.4990	0.000	1	110.2298	2.225	17	110.1743	3.125	22	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(CH3)	108.5320	0.000	1	108.5320	0.000	1	108.4357	0.854	3	108.4357	0.854	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[6a]HH)(CC[6]CH)	107.4670	0.000	1	107.4670	0.000	1	108.4357	0.854	3	108.4357	0.854	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,2|O<2>,3|C<4>}	O(CC[6a]HH)(CC[6]CH)	109.3080	0.000	1	109.3080	0.000	1	108.4357	0.854	3	108.4357	0.854	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:2:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:C-4:	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	O(CC[6]CH)(CH3)	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	O(CC[6]CH)(CH3)	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:H-1:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|C<3>,1|C<4>,3|H<1>}	O(CC[6]CH)(H)	109.6207	0.522	3	108.9300	2.090	4	108.9996	1.592	5	108.9996	1.592	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:H-1:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){2|C<4>,3|H<1>}	O(CC[6]CH)(H)	106.8580	0.000	1	108.9300	2.090	4	108.9996	1.592	5	108.9996	1.592	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:H-1:	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3){2|H<1>,3|C<4>}	O(CC[6]CH)(H)	109.2780	0.000	1	109.2780	0.000	1	108.9996	1.592	5	108.9996	1.592	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6]CH)(H)	111.6550	2.301	6	111.6550	5.296	6	111.2969	2.181	14	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(CC[6]CH)(H)	111.0282	0.274	8	111.0282	0.075	8	111.2969	2.181	14	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(H)	106.7960	0.843	2	106.7960	0.710	2	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(CC[6]CH)(H)	109.8450	0.000	1	109.8450	0.000	1	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(H)	106.1720	0.000	1	106.1720	0.000	1	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){2|H<1>,3|C<4>}	O(CC[6]CH)(H)	110.8760	0.000	1	110.8760	0.000	1	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	O(CC[6]CH)(H)	110.3530	0.390	4	110.3530	0.152	4	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHN)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6]CH)(H)	110.2160	0.000	1	110.2160	0.000	1	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	110.3020	0.000	1	110.3020	0.000	1	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[6]CH)(H)	108.2360	0.000	2	108.2360	0.000	2	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|H<1>,3|C<3>}	O(CC[6]CH)(H)	111.0590	0.000	1	111.0590	0.000	1	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(H)	107.4470	1.655	2	107.4470	2.738	2	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(H)	106.3720	0.000	1	106.3720	0.000	1	108.8948	3.331	17	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	O(CC[6]CH)(H)	104.9430	0.000	1	104.9430	0.000	1	106.1275	4.680	4	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	109.3410	0.000	1	109.3410	0.000	1	106.1275	4.680	4	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	O(CC[6]CH)(H)	105.1130	0.502	2	105.1130	0.252	2	106.1275	4.680	4	109.5394	5.663	35	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C-4:S-4:	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	O(CC[6]CH)(SCOO)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[6]CH)(SCOO)	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	107.1377	3.250	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	O(CC[6]CH)(SiCCO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H){2|C<4>,2|H<1>}	O(CC[6]CH)(SiCCO)	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	107.1377	3.250	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	O(CC[6a]HH)(CC[6]CH)	106.7305	1.337	2	106.7305	1.788	2	105.9480	2.731	3	107.1377	3.250	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6a]HH)(CC[6]CH)	104.3830	0.000	1	104.3830	0.000	1	105.9480	2.731	3	107.1377	3.250	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[6]CH)(SiC3)	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	107.1377	3.250	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3){2|H<1>,3|C<4>}	O(CC[6]CH)(H)	106.9747	0.361	3	106.9747	0.131	3	108.1238	1.865	6	107.8609	2.038	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	O(CC[6]CH)(H)	109.2155	1.059	2	109.2155	1.121	2	108.1238	1.865	6	107.8609	2.038	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3){1|H<1>,2|C<4>}	O(CC[6]CH)(H)	109.3880	0.000	1	109.3880	0.000	1	108.1238	1.865	6	107.8609	2.038	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3)	O(CC[6]2H)(H)	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3){2|H<1>,3|C<4>}	O(CC[6]2H)(H)	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	107.8609	2.038	7	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:3:4:4:	4:4:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C-4:C-4:	C(C[6]C[5,6]C[6]C)(CCo2C)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCo2C)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3){3|C<4>,3|H<1>}	O(CC[6a]HH)(CC[6]CH)	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C[6]-3:H-1:	C-4:H-1:	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	O(CC[5,6]C[6]H)(H)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[5,6]C[6]H)(H)	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	O(CC[3]C[6]H)(H)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[3]HO)(H){1|C<4>,4|H<1>}	O(CC[3]C[6]H)(H)	107.9190	0.636	2	107.9190	0.405	2	107.9190	0.405	2	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H){2|C<3>,2|C<4>,6|H<1>}	O(CC[6]CH)(H)	107.4230	0.132	2	107.4230	0.017	2	107.4230	0.017	2	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	109.8610	0.103	2	109.8337	0.008	3	109.8337	0.008	3	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	O(CC[6]CH)(H)	109.7790	0.000	1	109.8337	0.008	3	109.8337	0.008	3	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	110.0845	1.266	8	110.0845	1.603	8	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	109.2305	2.032	2	109.2305	4.127	2	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	109.7125	0.050	2	109.7125	0.003	2	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	112.6070	0.303	2	112.6070	0.092	2	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	111.4664	0.919	32	111.4664	0.845	32	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	105.6570	0.000	1	105.6570	0.000	1	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CH)(H)	113.6560	0.000	1	113.6560	0.000	1	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	106.3400	0.000	1	106.3400	0.000	1	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHN)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CHHN)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	112.1670	0.000	1	112.1670	0.000	1	110.9704	2.626	50	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H)	O(CC[5]C[6]H)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(CC[5]C[6]H)(H)	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	O(CC[6]2H)(H)	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H){1|H<1>,4|C<4>}	O(CC[6]2H)(H)	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6]2H)(H)	105.5580	0.000	1	105.5580	0.000	1	107.8315	1.929	6	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	O(CC[6]2H)(H)	108.3690	0.000	1	108.3690	0.000	1	107.8315	1.929	6	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	O(CC[6]2H)(H)	106.9840	0.000	1	106.9840	0.000	1	107.8315	1.929	6	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[6]2H)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	O(CC[6]2H)(H)	109.5110	0.000	1	109.5110	0.000	1	107.8315	1.929	6	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)2(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[6]2H)2(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	O(CC[6]2H)(H)	107.9360	0.000	1	107.9360	0.000	1	107.8315	1.929	6	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	O(CC[6]2H)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	O(CC[6]2H)(H)	108.6310	0.000	1	108.6310	0.000	1	107.8315	1.929	6	110.5029	3.778	66	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:2:	C[6]-4:C[5]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C-4:O-2:	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H)	O(CC[5]C[6]H)(OH)	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(CC[5]C[6]H)(OH)	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	O(CC[5]C[6]H)(CH3)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	O(CC[5]C[6]H)(CH3)	110.1775	0.435	2	110.1775	0.189	2	110.1775	0.189	2	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	O(CC[6]CH)(SiC3)	113.3380	0.000	1	113.3380	0.000	1	110.9760	6.848	3	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	O(CC[6]CH)(SiC3)	108.1630	0.000	1	108.1630	0.000	1	110.9760	6.848	3	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(SiCCO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	O(CC[6]CH)(SiCCO)	111.4270	0.000	1	111.4270	0.000	1	110.9760	6.848	3	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CCCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(CH3)	109.6950	0.000	1	109.6950	0.000	1	111.0555	2.054	6	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6]CH)	111.1085	0.310	2	111.1085	0.096	2	111.0555	2.054	6	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[6]CH)	110.7320	0.000	1	110.7320	0.000	1	111.0555	2.054	6	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(CCCH)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	O(CC[6]CH)(CCCH)	111.8445	2.640	2	111.8445	6.968	2	111.0555	2.054	6	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	O(CC[6]CH)(SiSi3)	105.3130	0.000	1	105.0165	0.176	2	107.8040	7.684	5	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	O(CC[6]CH)(SiSi3)	104.7200	0.000	1	105.0165	0.176	2	107.8040	7.684	5	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	O(CC[6]CH)(SiSi3)	109.2450	0.000	1	109.2450	0.000	1	107.8040	7.684	5	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(SiSi3)	108.3880	0.000	1	108.3880	0.000	1	107.8040	7.684	5	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(CC[6]CH)(SiC3)	111.3540	0.000	1	111.3540	0.000	1	107.8040	7.684	5	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H)	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	O(SiC[6a]2C)(CC[6]CH)	107.8950	0.000	1	107.8950	0.000	1	106.6455	3.123	2	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	Si-4:C-4:	C(C[6]C[6]2H)(CH3)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CH3)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(SiC[6a]2C)(CC[6]CH)	105.3960	0.000	1	105.3960	0.000	1	106.6455	3.123	2	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	O(CC[6]CH)(CC[6]HH)	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	O(CC[6]CH)(CC[6]HH)	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	109.6948	6.536	19	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C-4:H-1:	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	O(CC[3]C[6]H)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	O(CC[3]C[6]H)(H)	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:H-1:	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]CH)(H)	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	107.6460	0.310	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:H-1:	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(COO)	O(CC[6]2H)(H)	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(COO){1|C<3>,3|H<1>}	O(CC[6]2H)(H)	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	107.6460	0.310	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	O(CC[5]C[6]H)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	O(CC[5]C[6]H)(H)	111.2318	1.305	5	111.2318	1.703	5	111.2318	1.703	5	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(CC[6]CH)(H)	109.9130	1.188	4	109.9130	1.411	4	109.9130	1.411	4	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]CH)(H)	109.6550	0.000	1	109.6550	0.000	1	111.1930	4.731	2	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]CH)(H)	112.7310	0.000	1	112.7310	0.000	1	111.1930	4.731	2	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(CClHH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CClHH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	O(CC[6]CH)(H)	110.3540	0.000	1	110.3540	0.000	1	110.4710	0.027	2	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CH)(H)	110.5880	0.000	1	110.5880	0.000	1	110.4710	0.027	2	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:S-4:C-4:	C-4:H-1:	C(C[6]C[6]2S)(CCCH)(OH)(H)	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO)	O(CC[6]CH)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO){1|C<4>,4|H<1>}	O(CC[6]CH)(H)	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	O(CC[6]2H)(H)	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	O(CC[6]2H)(H)	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	110.5575	1.781	15	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:2:	3:3:4:1:	4:4:	C[6]-4:C-4:O-2:O-2:	C[6]-3:N[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	O(CC[6]CO)(CH3)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	O(CC[6]CO)(CH3)	101.9870	0.000	1	101.9870	0.000	1	101.9870	0.000	1	106.0600	33.179	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:2:	3:3:4:1:	4:4:	C[6]-4:C-4:O-2:O-2:	C[6]-3:N[6]-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	O(CC[6]CO)(SiC3)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	O(CC[6]CO)(SiC3)	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	106.0600	33.179	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)2(CN)(OH)	C[6](C[6]C[6]HH)2(CC[6]CO)(H)	O(CC[6]2C)(H)	C(C[6]C[6]2H)2(CN)(OH)	C[6](C[6]C[6]HH)2(CC[6]CO)(H){1|C<4>,4|H<1>}	O(CC[6]2C)(H)	110.5655	1.568	2	110.5655	2.458	2	110.5655	2.458	2	110.5655	2.458	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	2:3:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	N[6]-2:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H){2|C<4>}	O(CC[6]CC)(H)	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C[5a,6]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[6]CC)(H)	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	O(CC[6]CC)(H)	110.3400	0.854	4	110.3400	0.729	4	108.7523	8.585	8	108.7523	8.585	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(CC[6]CC)(H)	107.1645	3.547	4	107.1645	12.580	4	108.7523	8.585	8	108.7523	8.585	8	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	O(CC[6]CC)(H)	112.8370	1.899	2	111.8936	2.110	5	111.8936	2.110	5	111.8936	2.110	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	O(CC[6]CC)(H)	111.2647	0.966	3	111.8936	2.110	5	111.8936	2.110	5	111.8936	2.110	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	C[6](C[6]C[6]HH)2(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	O(CC[6]CC)(H)	109.6410	0.577	2	109.6410	0.333	2	110.0937	0.781	3	109.0552	3.407	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHO)(COO)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHO)(COO)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6]CC)(H)	110.9990	0.000	1	110.9990	0.000	1	110.0937	0.781	3	109.0552	3.407	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)2(COO)(OH)	C[6](C[6]C[6]HH)2(CC[6]CO)(H)	O(CC[6]2C)(H)	C(C[6]C[6]2H)2(COO)(OH)	C[6](C[6]C[6]HH)2(CC[6]CO)(H){1|C<4>,4|H<1>}	O(CC[6]2C)(H)	107.4975	1.995	2	107.4975	3.979	2	107.4975	3.979	2	109.0552	3.407	5	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	2:3:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	O[6]-2:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CC)(H)	108.2465	0.371	2	108.2465	0.138	2	108.2465	0.138	2	108.2465	0.138	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	2:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	O[6]-2:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H){2|C<3>}	O(CC[6]CC)(H)	107.0728	2.472	6	107.0728	6.112	6	107.0728	6.112	6	107.0728	6.112	6	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	3:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-3:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	O(CC[6]CC)(H)	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<1>}	O(CC[5]C[6]C)(H)	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(CC[6]CC)(H)	110.0510	0.000	1	109.9380	0.026	2	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|H<1>,1|O<1>,2|C<4>}	O(CC[6]CC)(H)	109.8250	0.000	1	109.9380	0.026	2	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H){1|N<3>,2|C<4>,2|H<1>}	O(CC[6]CC)(H)	109.4610	0.000	1	109.4610	0.000	1	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	O(CC[6]CC)(H)	107.4610	0.000	1	107.4610	0.000	1	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CC)(H)	107.4725	0.245	2	107.6259	7.776	11	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|C<4>,3|H<1>}	O(CC[6]CC)(H)	107.9437	3.509	7	107.6259	7.776	11	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|H<1>,3|C<4>}	O(CC[6]CC)(H)	106.6670	1.117	2	107.6259	7.776	11	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H){1|C<4>,4|H<1>}	O(CC[6]CC)(H)	107.6385	0.182	2	107.6385	0.033	2	107.9976	5.597	17	107.9571	5.298	18	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:1:	4:2:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C-4:O-2:	C(C[6]C[6]O[6]H)(CH3)2(OO)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H)	O(CC[6]CC)(OH)	C(C[6]C[6]O[6]H)(CH3)2(OO)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H){3|C<4>}	O(CC[6]CC)(OH)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:2:4:2:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	O(CC[6]2C)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH){1|O<1>,3|C<4>}	O(CC[6]2C)(H)	105.5610	0.000	1	105.5610	0.000	1	105.5610	0.000	1	105.5610	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H){1|C<4>,3|H<1>}	O(CC[5]C[6]C)(H)	105.1000	0.000	1	105.1000	0.000	1	105.1000	0.000	1	105.8080	2.467	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	O(CC[5]C[6]C)(H)	104.4760	0.000	1	104.4760	0.000	1	105.0350	0.625	2	105.8080	2.467	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H){1|C<4>,4|H<1>}	O(CC[5]C[6]C)(H)	105.5940	0.000	1	105.5940	0.000	1	105.0350	0.625	2	105.8080	2.467	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H){1|H<1>,4|C<3>}	O(CC[6]CC)(H)	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	105.8080	2.467	4	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:3:4:1:	4:4:	C[6]-4:C-4:C-4:O-2:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C-4:C-4:	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H)	O(CC[6]CC)(CH3)	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(CC[6]CC)(CH3)	109.9370	0.066	3	109.9370	0.004	3	109.9370	0.004	3	109.9370	0.004	3	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:3:4:2:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:O-2:	C-4:H-1:	C(C[6]C[6]2O)(CH3)2(OH)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH)	O(CC[6]CC)(H)	C(C[6]C[6]2O)(CH3)2(OH)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH){1|H<1>,2|C<4>}	O(CC[6]CC)(H)	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	O(CC[3]C[6]C)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)2(CC[3]CO)(H){1|C<3>,3|H<1>}	O(CC[3]C[6]C)(H)	109.2393	0.162	3	109.2393	0.026	3	109.2393	0.026	3	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(CC[5]C[6]C)(H)	108.7105	0.056	2	108.3523	0.442	7	108.3523	0.442	7	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(CC[5]C[6]C)(H)	108.8970	0.174	2	108.3523	0.442	7	108.3523	0.442	7	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	O(CC[5]C[6]C)(H)	107.7503	0.584	3	108.3523	0.442	7	108.3523	0.442	7	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	O(CC[6]CC)(H)	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	O(CC[6]CC)(H)	108.2300	0.000	1	108.2300	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(CC[6]CC)(H)	106.3470	0.000	1	106.3470	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	O(CC[6]CC)(H)	109.3430	0.000	1	109.3430	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	O(CC[6]CC)(H)	111.5138	1.157	4	111.5138	1.338	4	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[6]CC)(H)	109.0060	0.000	1	109.0060	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	O(CC[6]CC)(H)	109.3940	0.000	1	109.3940	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	O(CC[6]CC)(H)	107.4950	0.000	1	107.4950	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HH)2(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[6]CC)(H)	107.7310	0.000	1	107.7310	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	O(CC[6]CC)(H)	110.1150	0.000	1	110.1150	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H){1|H<1>,1|O<2>,4|C<3>}	O(CC[6]CC)(H)	103.1120	0.000	1	103.1120	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CC)(H)	107.9380	0.000	1	107.9380	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6]CC)(H)	106.1220	0.000	1	106.1220	0.000	1	108.7259	6.090	15	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	O(CC[5]C[6]C)(H)	111.2850	0.000	1	109.3087	12.258	10	109.3087	12.258	10	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,2|O<2>,4|H<1>}	O(CC[5]C[6]C)(H)	112.0496	1.323	5	109.3087	12.258	10	109.3087	12.258	10	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,6|H<1>}	O(CC[5]C[6]C)(H)	105.3885	0.354	4	109.3087	12.258	10	109.3087	12.258	10	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H)	O(CC[6]2C)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(CC[6]2C)(H)	105.4810	0.000	1	105.4810	0.000	1	105.4810	0.000	1	108.7731	5.943	37	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:2:	C[6]-4:C-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C-4:O-2:	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(OC[5])	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H){2|O<2>,4|C<4>,5|H<1>}	O(CC[6]CC)(OC[5])	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	O(CC[6]CC)(CH3)	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	O(CC[6]CC)(CH3)	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	O(CC[6]CC)(H)	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	O(CC[6]CC)(H)	105.3980	0.000	1	105.3980	0.000	1	105.3980	0.000	1	107.8435	11.961	2	110.2262	6.501	1303	110.1664	6.547	1509
490	466	893	0:SP3_SP3_SP3	C	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-2:	C-4:H-1:	C(C[6]C[6]2C)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	O(CC[6]CC)(H)	C(C[6]C[6]2C)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	O(CC[6]CC)(H)	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	107.8435	11.961	2	110.2262	6.501	1303	110.1664	6.547	1509