474	217	976	0:SP3_SP2_SP2	C[5]	N[6a]	O[5]	3:3:2:1:	4:3:2:	4:3:	C[5,6a]-3:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H)	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a])	O[5](C[5]C[5,6a]N[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H){1|H<1>,2|O<1>,4|C<3>}	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	O[5](C[5]C[5,6a]N[6a]H)(C[5]C[5,6a]O){1|N<2>,3|C<3>}	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH){1|N<3>,2|C<3>,3|H<1>}	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	110.7335	2.071	2	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6]-4:N[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	110.7335	2.071	2	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	111.3170	0.000	1	111.3170	0.000	1	109.5096	1.130	7	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	108.2250	0.000	1	108.2250	0.000	1	109.5096	1.130	7	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	108.2410	0.000	1	109.1170	0.578	3	109.5096	1.130	7	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.6000	0.000	1	109.1170	0.578	3	109.5096	1.130	7	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|O<2>,4|H<1>}	109.5100	0.000	1	109.1170	0.578	3	109.5096	1.130	7	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.9670	0.000	1	109.8370	0.034	2	109.5096	1.130	7	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5,6]	N[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	109.7070	0.000	1	109.8370	0.034	2	109.5096	1.130	7	109.4958	0.970	8	109.4958	0.970	8	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.5240	0.000	1	108.3774	0.248	5	108.6010	0.499	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.0380	0.000	1	108.3774	0.248	5	108.6010	0.499	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.0620	0.000	1	108.3774	0.248	5	108.6010	0.499	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.6315	0.793	2	108.3774	0.248	5	108.6010	0.499	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.7190	0.000	1	109.7190	0.000	1	108.6010	0.499	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.2800	0.000	1	109.2800	0.000	1	108.5343	1.272	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.0500	0.000	1	108.0500	0.000	1	108.5343	1.272	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.4070	0.000	1	110.4070	0.000	1	108.5343	1.272	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.5350	0.222	2	107.8230	0.273	3	108.5343	1.272	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.3990	0.000	1	107.8230	0.273	3	108.5343	1.272	6	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.2380	0.139	2	107.2380	0.019	2	108.1910	1.400	5	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.6940	0.000	1	107.6940	0.000	1	108.1910	1.400	5	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.9530	0.000	1	109.3925	0.628	2	108.1910	1.400	5	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8320	0.000	1	109.3925	0.628	2	108.1910	1.400	5	108.4904	0.901	18	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|F<1>,2|H<1>}	108.4540	0.000	1	109.2630	1.309	2	108.5660	1.426	5	108.5660	1.426	5	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	110.0720	0.000	1	109.2630	1.309	2	108.5660	1.426	5	108.5660	1.426	5	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.0280	0.000	1	109.0280	0.000	1	108.5660	1.426	5	108.5660	1.426	5	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	108.5010	0.000	1	107.6380	1.490	2	108.5660	1.426	5	108.5660	1.426	5	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	106.7750	0.000	1	107.6380	1.490	2	108.5660	1.426	5	108.5660	1.426	5	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,5|H<1>}	108.8210	0.552	2	108.8210	0.304	2	108.8210	0.304	2	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	109.1760	0.000	1	109.1760	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	106.5640	0.000	1	106.5640	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.5830	0.416	3	108.5830	0.173	3	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	106.5840	0.000	1	106.5840	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	108.1140	0.000	1	107.9660	0.087	5	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	107.9290	0.326	4	107.9660	0.087	5	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.5750	0.000	1	108.5750	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	107.9500	0.139	2	107.9500	0.019	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.2155	0.964	2	107.2155	0.929	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.1030	0.055	2	110.1030	0.003	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8970	0.000	1	108.8970	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.6160	1.642	2	106.6160	2.696	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	107.7730	0.000	1	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	108.2470	0.000	1	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.1505	0.645	6	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.5643	1.518	4	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.9070	0.529	2	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.5440	0.000	1	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.4680	0.379	2	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.7047	0.644	3	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.6020	0.769	3	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.5337	0.997	18	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.6948	0.708	6	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	107.7730	0.724	2	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	107.2520	0.591	2	107.7690	0.757	51	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	108.1498	0.498	5	108.1498	0.248	5	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.2120	0.000	1	107.2120	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.6760	0.966	2	108.6760	0.933	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.6410	0.000	1	107.3955	3.103	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	106.1500	0.000	1	107.3955	3.103	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){2|C<3>,2|H<1>,2|O<2>}	108.3120	0.000	1	108.3120	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){2|C<3>,2|H<1>,2|O<2>}	107.6655	0.059	2	107.6655	0.003	2	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	107.9625	0.946	4	108.1379	0.714	21	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.3485	0.723	2	108.1379	0.714	21	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.7467	0.216	3	108.1379	0.714	21	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.4260	1.495	3	108.1379	0.714	21	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.8330	0.845	4	108.1379	0.714	21	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.8996	0.732	5	108.1379	0.714	21	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){2|C<3>,2|H<1>,2|O<2>}	107.5900	0.000	1	107.5900	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	110.5700	0.000	1	110.5700	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.0700	0.000	1	108.0700	0.000	1	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	108.5690	0.000	1	109.4963	1.566	4	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	110.9100	0.000	1	109.4963	1.566	4	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|I<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.2530	1.312	2	109.4963	1.566	4	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	106.7270	0.698	4	107.6064	0.815	13	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	107.9972	0.694	9	107.6064	0.815	13	107.9611	0.967	126	107.9746	0.966	128	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5]-2:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H)	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.3160	0.590	2	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5]-4:O[5]-2:N[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	108.3160	0.590	2	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|F<1>,2|C<3>,2|C<4>}	107.6660	0.000	1	107.6660	0.000	1	107.9820	0.200	2	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|O<2>,2|C<3>,2|H<1>}	108.2980	0.000	1	108.2980	0.000	1	107.9820	0.200	2	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,3|O<2>,5|H<1>}	111.2245	0.508	2	110.7660	0.760	3	110.7660	0.760	3	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	109.8490	0.000	1	110.7660	0.760	3	110.7660	0.760	3	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	111.0410	0.000	1	111.0410	0.000	1	109.9802	3.783	4	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	108.3480	0.198	2	108.3480	0.039	2	109.9802	3.783	4	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	112.1840	0.000	1	112.1840	0.000	1	109.9802	3.783	4	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	108.7430	0.000	1	108.7430	0.000	1	108.7570	0.335	4	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	109.1710	0.000	2	109.1710	0.000	2	108.7570	0.335	4	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|O<2>,2|C<3>,2|S<2>,4|H<1>}	107.9430	0.000	1	107.9430	0.000	1	108.7570	0.335	4	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	110.4360	0.000	1	110.4360	0.000	1	109.9045	0.565	2	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	109.3730	0.000	1	109.3730	0.000	1	109.9045	0.565	2	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){2|C<3>,2|F<1>,3|H<1>}	106.4270	0.000	1	106.4270	0.000	1	107.7525	3.514	2	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	109.0780	0.000	1	109.0780	0.000	1	107.7525	3.514	2	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){1|F<1>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	109.9910	0.000	1	109.9910	0.000	1	108.7234	0.818	5	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.8920	0.000	1	108.8920	0.000	1	108.7234	0.818	5	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.0390	0.000	1	109.0390	0.000	1	108.7234	0.818	5	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	107.8475	0.069	2	107.8475	0.005	2	108.7234	0.818	5	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	107.5257	0.982	3	107.5257	0.965	3	107.4678	0.498	5	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){2|C<3>,2|O<2>,5|H<1>}	107.2480	0.000	1	107.3810	0.035	2	107.4678	0.498	5	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	107.5140	0.000	1	107.3810	0.035	2	107.4678	0.498	5	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|F<1>,2|C<4>,2|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	107.8805	0.207	2	107.8805	0.043	2	108.3713	0.744	3	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	109.3530	0.000	1	109.3530	0.000	1	108.3713	0.744	3	108.8198	1.983	30	108.1822	1.234	186	108.2618	1.348	196
474	217	976	0:SP3_SP2_SP3	C[5]	N[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO)	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	107.0610	0.351	2	107.0610	0.123	2	107.0610	0.123	2	107.0610	0.123	2	108.1822	1.234	186	108.2618	1.348	196
474	217	976	6:SP3_SP2_SP3	C[5,6]	N[6,6a]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	107.8997	0.298	3	107.8997	0.089	3	107.9045	0.059	4	107.9045	0.059	4	107.9588	0.059	5	107.9588	0.059	5
474	217	976	6:SP3_SP2_SP3	C[5,6]	N[6,6a]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	107.9190	0.000	1	107.9190	0.000	1	107.9045	0.059	4	107.9045	0.059	4	107.9588	0.059	5	107.9588	0.059	5
474	217	976	6:SP3_SP2_SP3	C[5,6]	N[6,6a]	O[5,6]	3:4:2:1:	4:3:3:	4:4:	N[6,6a]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.9588	0.059	5	107.9588	0.059	5
474	217	997	0:SP3_SP2_SP3	C[5]	N[6a]	Se[5]	3:3:2:1:	4:3:3:	4:3:	N[6a]-3:C[5]-3:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C){2|C<3>,2|H<1>}	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	113.0447	0.360	4	113.0447	0.360	4
474	217	997	0:SP3_SP2_SP3	C[5]	N[6a]	Se[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	112.3560	0.000	1	112.3560	0.000	1	113.1457	0.479	3	113.1457	0.479	3	113.0447	0.360	4	113.0447	0.360	4
474	217	997	0:SP3_SP2_SP3	C[5]	N[6a]	Se[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	113.4320	0.000	1	113.4320	0.000	1	113.1457	0.479	3	113.1457	0.479	3	113.0447	0.360	4	113.0447	0.360	4
474	217	997	0:SP3_SP2_SP3	C[5]	N[6a]	Se[5]	3:4:2:1:	4:3:3:	4:4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	113.6490	0.000	1	113.6490	0.000	1	113.1457	0.479	3	113.1457	0.479	3	113.0447	0.360	4	113.0447	0.360	4
474	230	474	0:SP3_SP3_SPD6	C[5]	S	C[5]	4:4:6:1:	4:1:1:1:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-6:H-1:	C[5]-4:F-1:F-1:F-1:F-1:F-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	S(C[5]C[5]2H)(F)5	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	S(C[5]C[5]2H)(F)5	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	114.2910	0.000	1	114.2910	0.000	1	114.2910	0.000	1	114.2910	0.000	1	114.6455	0.251	2	114.6455	0.251	2
474	230	474	0:SP3_SP3_SPD6	C[5]	S	C[5]	4:4:6:1:	4:1:1:1:1:1:	4:4:3:1:	C[5]-4:C[5]-4:S-6:H-1:	C[5]-4:F-1:F-1:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	S(C[5]C[5]2H)(F)5	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	S(C[5]C[5]2H)(F)5	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CNO)(H){1|C<4>,2|H<1>}	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	114.6455	0.251	2	114.6455	0.251	2
474	230	951	0:SP3_SP-NON_SPD6	C[5]	S	H	4:4:6:1:	4:1:1:1:1:1:	4:	C[5]-4:C[5]-4:S-6:H-1:	C[5]-4:F-1:F-1:F-1:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	S(C[5]C[5]2H)(F)5	H(C[5]C[5]2S)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	S(C[5]C[5]2H)(F)5	H(C[5]C[5]2S)	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1
474	234	474	5:SP3_SP3_SP3	C[5]	N[3,5]	C[5]	4:4:1:1:	4:4:4:4:	4:4:2:1:	N[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	102.7300	2.134	4	102.7300	2.134	4
474	234	474	5:SP3_SP3_SP3	C[5]	N[3,5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|C<4>,2|H<1>}	101.9325	0.176	2	101.9325	0.031	2	101.9325	0.031	2	101.9325	0.031	2	102.7300	2.134	4	102.7300	2.134	4
474	234	474	5:SP3_SP3_SP3	C[5]	N[3,5]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|H<1>,2|C<4>}	102.1440	0.000	1	102.1440	0.000	1	102.1440	0.000	1	102.1440	0.000	1	102.7300	2.134	4	102.7300	2.134	4
474	234	474	6:SP3_SP3_SP3	C[5,6]	N[3,5,6]	C[5,3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	103.4050	0.000	1	103.4050	0.000	1	103.4050	0.000	1	103.4050	0.000	1	103.4050	0.000	1	103.4050	0.000	1
474	234	490	0:SP3_SP3_SP3	C[5]	N[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C(C[5]N[3,5]C[5]C)(H)3	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C(C[5]N[3,5]C[5]C)(H)3	108.5040	2.481	4	108.5040	6.154	4	108.5040	6.154	4	108.5040	6.154	4	109.2927	5.187	6	109.2927	5.187	6
474	234	490	0:SP3_SP3_SP3	C[5]	N[3,5]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C(C[5]N[3,5]C[5]C)(H)3	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C(C[5]N[3,5]C[5]C)(H)3	110.8700	0.102	2	110.8700	0.010	2	110.8700	0.010	2	110.8700	0.010	2	109.2927	5.187	6	109.2927	5.187	6
474	234	951	0:SP3_SP-NON_SP3	C[5,6]	N[3,5,6]	H	4:4:1:1:	4:4:4:1:	4:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[5,3x6]N[3,5,6]H)	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]N[3,5,6]H)	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	110.9525	0.052	2
474	234	951	0:SP3_SP-NON_SP3	C[5]	N[3,5]	H	4:4:1:1:	4:4:4:4:	4:	N[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	H(C[5]N[3,5]C[5]H)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	H(C[5]N[3,5]C[5]H)	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	110.9525	0.052	2
474	246	246	5:SP3_SP3_SP3	C[4x5]	P[3x5,6]	P[5,5]	4:3:3:4:	4:4:3:	4:4:1:	C[3x5,6]-4:P[3x5,6]-3:P[5,5]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:	P[3,5,5]-4:C[4x5]-4:O-1:	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3)	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C)	P[5,5](P[3,5,5]C[3,5,5,6]P[3,5,5,6]Cr)(C[4x5]C[3x5,6]P[3x5,6]C)(O)	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3){1|Cr<6>,2|C<4>}	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C){1|Cr<6>,1|C<4>,1|O<1>}	P[5,5](P[3,5,5]C[3,5,5,6]P[3,5,5,6]Cr)(C[4x5]C[3x5,6]P[3x5,6]C)(O){1|C<3>,1|P<2>,2|C<4>}	100.0100	0.000	1	100.0100	0.000	1	100.0100	0.000	1	100.0100	0.000	1	100.0100	0.000	1	103.9265	30.678	2
474	246	246	5:SP3_SP3_SP3	C[5,5]	P[3x5,6]	P[3x5,6]	3:3:4:1:	4:3:4:	4:3:4:	P[3x5,6]-3:P[3x5,6]-3:Si-4:H-1:	C[4,5,5,6]-4:P[4,5,5,6]-3:C[5,5]-4:	C[4,5,5,6]-4:P[4,5,5,6]-3:C[5,5]-4:	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H)	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH)	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH)	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H){2|P<3>,4|C<4>}	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH){1|P<3>,3|C<4>}	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH){1|P<3>,3|C<4>}	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	103.9265	30.678	2
474	246	246	6:SP3_SP3_SP3	C[3x5,6,6]	P[5,5,6,6]	P[5,5,6,6]	3:3:2:4:	4:4:2:	4:4:2:	P[5,5,6,6]-3:P[5,5,6,6]-3:Se[5,5]-2:C-4:	C[3x5,6,6]-4:C[4,5,6,6]-4:Se[5]-2:	C[3x5,6,6]-4:C[4,5,6,6]-4:Se[5]-2:	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3)	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5])	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5])	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3){1|Se<2>,2|C<4>}	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5]){1|C<4>}	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5]){1|C<4>}	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	114.9625	20.885	2
474	246	246	6:SP3_SP3_SP3	C[5,5,6,6]	P[5,6,6]	P[5,6,6]	3:3:2:4:	4:4:2:	4:4:2:	P[5,6,6]-3:P[5,6,6]-3:Se[5,5]-2:C-4:	C[4,5,6,6]-4:C[5,5,6,6]-4:Se-2:	C[4,5,6,6]-4:C[5,5,6,6]-4:Se-2:	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3)	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt)	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt)	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3){1|Se<3>,2|C<4>}	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt){1|Se<2>,1|C<4>}	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt){1|Se<2>,1|C<4>}	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	114.9625	20.885	2
474	246	466	6:SP3_SP3_SP3	C[5,6]	P[5,6]	C[6]	3:3:4:3:	4:4:3:	4:3:1:1:	P[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{3|C<4>,4|C<3>}	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1	110.3150	0.000	1
474	246	474	0:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:4:3:1:	4:2:2:	4:4:1:1:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	P[5](C[5]C[5]2H)(O[5]C[5])2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	P[5](C[5]C[5]2H)(O[5]C[5])2{1|P<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|P<3>,2|O<2>,3|H<1>}	108.6585	2.285	2	108.6585	5.220	2	108.6585	5.220	2	108.6585	5.220	2	108.7390	1.781	4	108.7390	1.781	4
474	246	474	0:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:4:3:1:	4:2:2:	4:4:3:1:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	P[5](C[5]C[5]2H)(O[5]C[5])2	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	P[5](C[5]C[5]2H)(O[5]C[5])2{1|P<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	108.8195	0.310	2	108.8195	0.096	2	108.8195	0.096	2	108.8195	0.096	2	108.7390	1.781	4	108.7390	1.781	4
474	246	474	5:SP3_SP3_SP3	C[4x5]	P[3x5,6]	C[3x5,6]	4:3:3:4:	4:4:3:	3:4:2:4:	C[3x5,6]-4:P[3x5,6]-3:P[5,5]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:	P[3,5,5,6]-3:C[4x5]-4:P[5,6]-2:C-4:	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3)	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C)	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3)	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3){1|Cr<6>,2|C<4>}	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C){1|Cr<6>,1|C<4>,1|O<1>}	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3){1|Cr<6>,1|O<1>,2|C<4>}	100.6940	0.000	1	100.6940	0.000	1	100.6940	0.000	1	100.6940	0.000	1	100.6940	0.000	1	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[4x5]	P[5,5]	C[3x5,6]	4:3:3:4:	4:4:1:	3:4:2:4:	C[3x5,6]-4:P[3x5,6]-3:P[5,5]-3:C-4:	P[3,5,5]-4:C[4x5]-4:O-1:	P[3,5,5,6]-3:C[4x5]-4:P[5,6]-2:C-4:	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3)	P[5,5](P[3,5,5]C[3,5,5,6]P[3,5,5,6]Cr)(C[4x5]C[3x5,6]P[3x5,6]C)(O)	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3)	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3){1|Cr<6>,2|C<4>}	P[5,5](P[3,5,5]C[3,5,5,6]P[3,5,5,6]Cr)(C[4x5]C[3x5,6]P[3x5,6]C)(O){1|C<3>,1|P<2>,2|C<4>}	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3){1|Cr<6>,1|O<1>,2|C<4>}	111.7110	0.000	1	111.7110	0.000	1	111.7110	0.000	1	111.7110	0.000	1	111.8173	82.446	3	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[4x5]	P[5,5]	C[3x5,6]	4:4:3:1:	4:4:4:	4:4:3:3:	C[3x5,6]-4:C[3x5,6]-4:P[5,5]-3:H-1:	P[3,5,5]-4:C[4x5]-4:C[5]-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-3:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H)	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO)	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H){1|Mo<6>,2|C<3>,5|C<4>}	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C){5|C<3>,5|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO){1|Mo<6>,4|C<4>}	102.7910	0.000	1	102.7910	0.000	1	102.7910	0.000	1	102.7910	0.000	1	111.8173	82.446	3	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[4x5]	P[5,5]	C[3x5,6]	4:4:3:1:	4:4:4:	4:4:3:4:	C[3x5,6]-4:C[3x5,6]-4:P[5,5]-3:H-1:	P[3,5,5]-4:C[4x5]-4:C[5]-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H)	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3)	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H){1|Mo<6>,2|C<3>,5|C<4>}	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C){5|C<3>,5|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3){1|Mo<6>,1|C<3>,3|C<4>}	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	111.8173	82.446	3	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5,3x6]	P[5,6,6]	C[5,6]	3:3:4:3:	4:3:3:	4:3:4:1:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[5,3x6]-4:P[3,5,6]-3:C[6]-3:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si){2|Si<4>,3|C<3>,3|H<1>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5,5,6]	P[5,6]	C[5,5]	3:4:4:1:	4:4:3:	4:4:1:1:	P[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,7|H<1>}	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|S<4>,4|H<1>}	104.4440	0.000	1	104.4440	0.000	1	104.4440	0.000	1	104.4440	0.000	1	104.4440	0.000	1	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5,5]	P[5,5,6]	C[5,5,6]	4:3:1:1:	3:4:3:	3:4:3:4:	C[5,5,6]-4:P[5,5,6]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2{2|C<3>,2|C<4>}	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){2|C<4>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	97.8103	0.240	2	97.8103	0.058	2	97.8103	0.058	2	97.8103	0.058	2	97.8103	0.058	2	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5,5]	P[5]	C[5,5]	3:4:3:1:	4:3:3:	4:3:3:1:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:P[5]-3:H-1:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2)	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2){1|C<4>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H){4|C<3>}	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	117.3235	0.308	2	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5,5]	P[5]	C[5,5]	4:3:3:1:	4:3:1:	3:4:3:1:	C[5,5]-4:C[5]-3:P[5]-3:H-1:	C[5,5]-4:P[5]-3:H-1:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H)	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H){4|C<3>}	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	117.3235	0.308	2	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:1:1:	3:3:4:	3:4:1:1:	P[5]-3:C[5]-4:H-1:H-1:	P[5]-3:C[6a]-3:C[5]-4:	P[5]-3:C[5]-4:H-1:H-1:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{4|C<3>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{4|C<3>}	115.1265	1.264	2	115.1265	1.597	2	115.1265	1.597	2	115.1265	1.597	2	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:1:1:	3:4:3:	3:4:1:1:	P[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	P[5]-3:C[5]-4:H-1:H-1:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){2|P<3>,3|C<3>,4|H<1>}	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	111.9370	1.711	2	111.9370	2.928	2	111.6908	1.608	4	111.6908	1.608	4	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:1:1:	3:4:3:	3:4:1:1:	P[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	P[5]-3:C[5]-4:H-1:H-1:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P){3|C<3>,4|H<1>}	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	111.4445	1.286	2	111.4445	1.654	2	111.6908	1.608	4	111.6908	1.608	4	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:1:1:	3:4:3:	4:4:1:1:	P[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	P[5]-4:C[5]-4:H-1:H-1:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|Fe<5>,1|P<3>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){1|Fe<5>,1|P<3>,1|P<4>,3|C<3>,4|H<1>}	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	112.9600	0.000	1	112.9600	0.000	1	112.9600	0.000	1	112.9600	0.000	1	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:3:1:	4:4:4:	4:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H)	P[5](C[5]C[6a]C[5]H)2(CP[5]HH)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	P[5](C[5]C[6a]C[5]H)2(CP[5]HH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	105.4938	1.058	4	105.4938	1.120	4	105.4938	1.120	4	105.5525	0.585	8	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:3:1:	4:4:4:	4:4:1:1:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H)	P[5](C[5]C[6a]C[5]H)2(C[5]C[5]2Fe)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	P[5](C[5]C[6a]C[5]H)2(C[5]C[5]2Fe){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	105.6112	0.485	4	105.6112	0.235	4	105.6112	0.235	4	105.5525	0.585	8	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:4:1:	3:4:4:	4:4:1:1:	P[5]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2{1|P<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	105.4540	1.879	2	105.4540	3.532	2	105.4540	3.532	2	105.8658	1.757	8	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:4:1:	3:4:4:	4:4:1:1:	P[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|P<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	105.9938	1.391	4	106.0030	1.662	6	106.0030	1.662	6	105.8658	1.757	8	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:4:1:	3:4:4:	4:4:1:1:	P[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	106.0215	1.583	2	106.0030	1.662	6	106.0030	1.662	6	105.8658	1.757	8	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	3:4:4:4:	4:4:4:	4:4:1:1:	P[5]-3:C[5]-4:Si-4:Si-4:	C[3x6]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2	P[5](C[3x6]C[6,6]3)(C[5]C[5]Si2)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<4>}	P[5](C[3x6]C[6,6]3)(C[5]C[5]Si2)2{10|H<1>,3|C<4>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	100.2596	3.182	2	100.2596	10.128	2	100.2596	10.128	2	100.2596	10.128	2	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:3:2:1:	3:4:4:	4:3:2:1:	C[5]-4:P[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:P[5]-3:O[5]-2:H-1:	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3)	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H){1|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3){1|H<1>,1|P<3>,2|C<3>,2|O<2>}	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H){1|C<4>,4|C<3>}	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:3:3:1:	3:4:3:	4:4:3:1:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|O<2>,1|P<4>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H){10|C<3>}	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:3:4:1:	4:4:4:	4:4:1:1:	C[5]-4:P[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H)	P[5](C[5]C[5]CH)2(CHHN)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	P[5](C[5]C[5]CH)2(CHHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,2|C<4>}	105.7295	0.039	2	105.7295	0.002	2	105.7295	0.002	2	105.7295	0.002	2	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:3:4:4:	4:4:1:	4:4:1:1:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:Cl-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2	P[5](C[5]C[5]Si2)2(Cl)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2{2|Si<4>,2|H<1>}	P[5](C[5]C[5]Si2)2(Cl){4|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,2|Si<4>}	103.8945	1.330	2	103.8945	1.769	2	103.8945	1.769	2	103.8945	1.769	2	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:3:4:4:	4:4:4:	4:4:1:1:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2	P[5](C[5]C[5]Si2)2(CC3)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	P[5](C[5]C[5]Si2)2(CC3){4|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	100.7933	3.114	2	100.7933	9.695	2	102.2801	6.807	4	102.2801	6.807	4	106.6406	17.842	35	107.0297	29.796	45
474	246	474	5:SP3_SP3_SP3	C[5]	P[5]	C[5]	4:3:4:4:	4:4:4:	4:4:1:1:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2	P[5](C[5]C[5]Si2)2(CH3)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	P[5](C[5]C[5]Si2)2(CH3){4|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	103.7670	1.372	2	103.7670	1.882	2	102.2801	6.807	4	102.2801	6.807	4	106.6406	17.842	35	107.0297	29.796	45
474	246	474	6:SP3_SP3_SP3	C[5,5,6]	P[5,6]	C[5,6]	3:4:4:1:	4:4:3:	4:3:1:1:	P[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	106.0567	3.598	3
474	246	474	6:SP3_SP3_SP3	C[5,6]	P[5,6]	C[5,5,6]	4:3:1:1:	4:4:3:	4:4:3:1:	C[5,5,6]-4:P[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	103.8680	0.000	1	103.8680	0.000	1	103.8680	0.000	1	103.8680	0.000	1	103.8680	0.000	1	106.0567	3.598	3
474	246	474	6:SP3_SP3_SP3	C[5,6]	P[5,6]	C[5,6]	3:4:1:1:	3:4:3:	4:4:3:4:	P[5,6]-3:C[5,6]-4:H-1:H-1:	P[5,6]-3:C[5,6]-4:C[5]-3:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2	P[5,6](P[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	P[5,6](P[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]){3|C<4>,5|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	106.0567	3.598	3
474	246	490	0:SP3_SP3_SP3	C[3x5,6,6]	P[5,5,6,6]	C	3:3:2:4:	4:4:2:	4:4:4:4:	P[5,5,6,6]-3:P[5,5,6,6]-3:Se[5,5]-2:C-4:	C[3x5,6,6]-4:C[4,5,6,6]-4:Se[5]-2:	C[3x5,6,6]-4:C-4:C-4:C-4:	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3)	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5])	C(C[3x5,6,6]P[5,5,6,6]2Se[5,5])(CH3)3	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3){1|Se<2>,2|C<4>}	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5]){1|C<4>}	C(C[3x5,6,6]P[5,5,6,6]2Se[5,5])(CH3)3	115.6925	1.101	2	115.6925	1.212	2	115.6925	1.212	2	115.6925	1.212	2	115.6925	1.212	2	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[4x5]	P[3x5,6]	C	4:3:3:4:	4:4:3:	4:4:4:4:	C[3x5,6]-4:P[3x5,6]-3:P[5,5]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:	C[4x5]-4:C-4:C-4:C-4:	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3)	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C)	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3){1|Cr<6>,2|C<4>}	P[3x5,6](C[3,5,5,6]P[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]C)(C[5,6]P[5,6]C){1|Cr<6>,1|C<4>,1|O<1>}	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[4x5]	P[5,5]	C	4:3:3:4:	4:4:1:	4:4:4:4:	C[3x5,6]-4:P[3x5,6]-3:P[5,5]-3:C-4:	P[3,5,5]-4:C[4x5]-4:O-1:	C[4x5]-4:C-4:C-4:C-4:	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3)	P[5,5](P[3,5,5]C[3,5,5,6]P[3,5,5,6]Cr)(C[4x5]C[3x5,6]P[3x5,6]C)(O)	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3){1|Cr<6>,2|C<4>}	P[5,5](P[3,5,5]C[3,5,5,6]P[3,5,5,6]Cr)(C[4x5]C[3x5,6]P[3x5,6]C)(O){1|C<3>,1|P<2>,2|C<4>}	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5,5,6,6]	P[5,6,6]	C	3:3:2:4:	4:4:2:	4:4:4:4:	P[5,6,6]-3:P[5,6,6]-3:Se[5,5]-2:C-4:	C[4,5,6,6]-4:C[5,5,6,6]-4:Se-2:	C[5,5,6,6]-4:C-4:C-4:C-4:	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3)	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt)	C(C[5,5,6,6]P[5,6,6]2Se[5,5])(CH3)3	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3){1|Se<3>,2|C<4>}	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt){1|Se<2>,1|C<4>}	C(C[5,5,6,6]P[5,6,6]2Se[5,5])(CH3)3	114.2580	0.516	2	114.2580	0.266	2	114.2580	0.266	2	114.2580	0.266	2	114.2580	0.266	2	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5,5]	C	3:3:3:4:	4:4:4:	4:1:1:1:	P[5,5]-3:C[5]-3:C[5]-3:C-4:	P[3,5,5]-4:C[4x5]-4:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3)	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C)	C(C[5]P[5,5]C[5]2)(H)3	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3){1|Mo<6>,1|H<1>,6|C<4>}	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C){5|C<3>,5|C<4>}	C(C[5]P[5,5]C[5]2)(H)3	105.1160	0.000	1	105.1160	0.000	1	105.1160	0.000	1	105.1160	0.000	1	106.8167	2.169	3	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5,5]	C	3:3:4:1:	3:4:3:	4:4:4:4:	P[5,5]-3:C[5]-3:C-4:H-1:	P[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C-4:C-4:C-4:	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H)	P[5,5](P[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	C(C[5]P[5,5]C[5]H)(CH3)3	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H){1|C<3>,1|C<4>,2|O<2>}	P[5,5](P[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<4>}	C(C[5]P[5,5]C[5]H)(CH3)3	107.6670	0.000	2	107.6670	0.000	2	107.6670	0.000	2	107.6670	0.000	2	106.8167	2.169	3	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5,6]	C	3:4:4:1:	3:3:4:	4:1:1:1:	P[5,6]-3:Ge[5]-4:C-4:H-1:	P[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H)	P[5,6](P[5,6]C[5,6]Ge[5])(C[5,6]P[5,6]C)(C[5]Ge[5]CH)	C(C[5]P[5,6]Ge[5]H)(H)3	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H){1|Ge<4>,1|P<3>,2|C<3>}	P[5,6](P[5,6]C[5,6]Ge[5])(C[5,6]P[5,6]C)(C[5]Ge[5]CH){1|C<3>,1|P<3>,5|C<4>}	C(C[5]P[5,6]Ge[5]H)(H)3	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5]	C	3:3:3:4:	3:3:4:	4:1:1:1:	C[5]-3:C[5]-3:P[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C)	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3){2|C<4>,4|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C){2|C<4>,2|H<1>,6|C<3>}	C(C[5]C[5]2P[5])(H)3	104.5940	0.000	1	104.5940	0.000	1	104.5940	0.000	1	104.5940	0.000	1	112.7242	14.900	13	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5]	C	3:3:3:4:	4:3:3:	4:1:1:1:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3)	P[5](C[5]C[5]2C)(C[5]C[5]C)2	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3){2|C<4>,4|C<3>}	P[5](C[5]C[5]2C)(C[5]C[5]C)2{2|C<3>,4|C<4>}	C(C[5]C[5]2P[5])(H)3	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	112.7242	14.900	13	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5]	C	3:4:4:1:	3:4:4:	4:1:1:1:	P[5]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2{1|P<4>,1|S<2>,2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(H)3	114.2510	2.703	2	114.2510	7.304	2	114.2510	7.304	2	113.8760	9.599	8	112.7242	14.900	13	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5]	C	3:4:4:1:	3:4:4:	4:1:1:1:	P[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|P<4>,2|C<3>,5|H<1>}	C(C[5]C[5]P[5]H)(H)3	113.1282	3.929	4	113.7510	11.903	6	113.7510	11.903	6	113.8760	9.599	8	112.7242	14.900	13	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5]	C	3:4:4:1:	3:4:4:	4:1:1:1:	P[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C(C[5]C[5]P[5]H)(H)3	114.9965	2.925	2	113.7510	11.903	6	113.7510	11.903	6	113.8760	9.599	8	112.7242	14.900	13	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5]	C	4:3:4:1:	4:4:3:	4:1:1:1:	C[5,5]-4:P[5]-3:C-4:H-1:	C[3x6]-4:C[5]-4:P[5]-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H)	P[5](C[3x6]C[6,6]3)(C[5]C[5,5]CH)(P[5]C[5,5]C)	C(C[5]C[5,5]P[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H){1|H<1>,6|C<4>}	P[5](C[3x6]C[6,6]3)(C[5]C[5,5]CH)(P[5]C[5,5]C){1|Fe<10>,5|C<4>,6|H<1>}	C(C[5]C[5,5]P[5]H)(H)3	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	112.7242	14.900	13	111.8492	15.555	23
474	246	490	0:SP3_SP3_SP3	C[5]	P[5]	C	4:3:4:1:	4:4:4:	4:1:1:1:	C[5]-4:P[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H)	P[5](C[5]C[5]CH)2(CHHN)	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	P[5](C[5]C[5]CH)2(CHHN){4|H<1>}	C(C[5]C[5]P[5]H)(H)3	115.2745	0.808	2	115.2745	0.653	2	115.2745	0.653	2	115.2745	0.653	2	112.7242	14.900	13	111.8492	15.555	23
474	246	606	5:SP3_SP3_SP3	C[5]	P[5,6]	Ge[5]	3:4:4:1:	3:3:4:	3:4:4:4:	P[5,6]-3:Ge[5]-4:C-4:H-1:	P[5,6]-3:C[5,6]-3:C[5]-4:	P[5,6]-3:C[5]-4:C-4:C-4:	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H)	P[5,6](P[5,6]C[5,6]Ge[5])(C[5,6]P[5,6]C)(C[5]Ge[5]CH)	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H){1|Ge<4>,1|P<3>,2|C<3>}	P[5,6](P[5,6]C[5,6]Ge[5])(C[5,6]P[5,6]C)(C[5]Ge[5]CH){1|C<3>,1|P<3>,5|C<4>}	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2{1|C<4>,1|P<3>,2|C<3>}	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1
474	246	643	0:SP3_SP2_SP3	C[5,5]	P[4x5]	C[6a]	3:3:3:3:	3:3:4:	4:3:3:	P[3,5,5]-3:P[4x5]-3:C[6a]-3:C[6a]-3:	P[3x5,6]-3:P[3x5,6]-3:C[5,5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(C[5,5]P[3,5,5]C[6a]2)	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2{2|P<3>,4|C<3>,4|H<1>}	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(C[5,5]P[3,5,5]C[6a]2){1|Nb<5>,4|C<3>}	C[6a](C[5,5]P[3,5,5]P[4x5]C[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|P<3>}	109.4230	2.522	2	109.4230	6.358	2	109.4230	6.358	2	109.4230	6.358	2	109.4230	6.358	2	112.1829	7.031	14
474	246	643	0:SP3_SP2_SP3	C[5,6]	P[5,6]	C[6a]	3:3:4:3:	4:4:3:	4:3:3:	P[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	112.1829	7.031	14
474	246	643	0:SP3_SP2_SP3	C[5]	P[5]	C[6a]	3:3:3:1:	4:4:3:	4:3:3:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2)	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]N[5,6a]P[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.5390	0.157	2	110.5390	0.025	2	110.5390	0.025	2	110.5390	0.025	2	113.0657	4.367	11	112.1829	7.031	14
474	246	643	0:SP3_SP2_SP3	C[5]	P[5]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H)	P[5](C[5]C[6a]C[5]H)2(CP[5]HH)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	P[5](C[5]C[6a]C[5]H)2(CP[5]HH){4|C<3>,4|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	113.5385	2.029	4	113.5385	4.118	4	113.5385	4.118	4	114.0367	2.280	8	113.0657	4.367	11	112.1829	7.031	14
474	246	643	0:SP3_SP2_SP3	C[5]	P[5]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H)	P[5](C[5]C[6a]C[5]H)2(C[5]C[5]2Fe)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	P[5](C[5]C[6a]C[5]H)2(C[5]C[5]2Fe){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	114.5350	0.735	4	114.5350	0.541	4	114.5350	0.541	4	114.0367	2.280	8	113.0657	4.367	11	112.1829	7.031	14
474	246	643	0:SP3_SP2_SP3	C[5]	P[5]	C[6a]	4:3:3:1:	3:4:3:	4:3:3:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|O<2>,1|P<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	113.0657	4.367	11	112.1829	7.031	14
474	246	643	6:SP3_SP2_SP3	C[5,3x6]	P[5,6,6]	C[6,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[5,3x6]-4:P[3,5,6]-3:C[6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si){2|Si<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	102.5110	0.000	1	102.5110	0.000	1	102.5110	0.000	1	102.5110	0.000	1	102.5110	0.000	1	102.5110	0.000	1
474	246	727	5:SP3_SP2_SP3	C[5,5,6]	P[5,5]	C[5,6,6a]	3:3:3:1:	4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H)	P[5,5](C[5,5,6]C[5,6,6a]2H)2(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H){3|H<1>,4|C<3>}	P[5,5](C[5,5,6]C[5,6,6a]2H)2(Cl){4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	97.5630	7.050	4	97.5630	49.702	4	97.5630	49.702	4	97.5630	49.702	4	98.1994	33.511	12	100.5090	41.698	16
474	246	727	5:SP3_SP2_SP3	C[5,5,6]	P[5,5]	C[5,6,6a]	3:3:3:1:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H)	P[5,5](C[5,5,6]C[5,6,6a]2H)2(NSi2)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	P[5,5](C[5,5,6]C[5,6,6a]2H)2(NSi2){4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	98.7270	6.557	4	98.7270	42.994	4	98.7270	42.994	4	98.5176	31.012	8	98.1994	33.511	12	100.5090	41.698	16
474	246	727	5:SP3_SP2_SP3	C[5,5,6]	P[5,5]	C[5,6,6a]	3:3:3:1:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H)	P[5,5](C[5,5,6]C[5,6,6a]2H)2(N[5,5]C[5,5,6]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	P[5,5](C[5,5,6]C[5,6,6a]2H)2(N[5,5]C[5,5,6]2){2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	98.3082	5.408	4	98.3082	29.250	4	98.3082	29.250	4	98.5176	31.012	8	98.1994	33.511	12	100.5090	41.698	16
474	246	727	5:SP3_SP2_SP3	C[5]	P[5]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:P[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|P<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,4|C<3>}	107.4377	0.517	4	107.4377	0.267	4	107.4377	0.267	4	107.4377	0.267	4	107.4377	0.267	4	100.5090	41.698	16
474	246	762	6:SP3_SP2_SP3	C[5,3x6]	P[5,6,6]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[5,3x6]-4:P[3,5,6]-3:C[6]-3:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si)	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si){2|Si<4>,3|C<3>,3|H<1>}	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	104.6770	0.000	1	104.6770	0.000	1	104.6770	0.000	1	104.6770	0.000	1	104.6770	0.000	1	104.6770	0.000	1
474	246	813	5:SP3_SP2_SP3	C[5]	P[5]	N[5,6a]	3:3:3:1:	4:4:3:	3:4:3:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,6|C<3>}	106.9260	0.156	2	106.9260	0.024	2	106.9260	0.024	2	106.9260	0.024	2	106.9260	0.024	2	106.9260	0.024	2
474	246	818	0:SP3_SP2_SP3	C[5,5]	P[5]	C[5,6]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2)	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|P<3>,3|H<1>}	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	108.7737	45.738	10
474	246	818	0:SP3_SP2_SP3	C[5,5]	P[5]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:P[5]-3:H-1:	C[5,5]-4:P[5]-3:H-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H)	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H)	C[5](C[5,5]C[5,5]P[5]H)(C[5,6]C[5,6]C[6])(H)	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H){4|C<3>}	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]P[5]H)(C[5,6]C[5,6]C[6])(H){2|C<3>,2|P<3>,3|H<1>}	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	108.7737	45.738	10
474	246	818	0:SP3_SP2_SP3	C[5]	P[5,5]	C[5]	3:3:3:4:	4:4:4:	4:3:4:	P[5,5]-3:C[5]-3:C[5]-3:C-4:	P[3,5,5]-4:C[4x5]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3)	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C)	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3){1|Mo<6>,1|H<1>,6|C<4>}	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C){5|C<3>,5|C<4>}	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	112.0260	10.983	2	112.0260	120.622	2	112.0260	120.622	2	112.0260	120.622	2	112.0260	120.622	2	108.7737	45.738	10
474	246	818	0:SP3_SP2_SP3	C[5]	P[5]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:P[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(P[5]N[5]2)(H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(P[5]N[5]2)(H){2|H<1>,4|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H){4|H<1>,6|C<3>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	101.5460	0.141	2	101.5460	0.020	2	101.5460	0.020	2	101.5460	0.020	2	107.3048	50.808	6	108.7737	45.738	10
474	246	818	0:SP3_SP2_SP3	C[5]	P[5]	C[5]	3:3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:P[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3){2|C<4>,4|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2C){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	110.9090	11.171	2	110.9090	124.788	2	110.9090	124.788	2	110.9090	124.788	2	107.3048	50.808	6	108.7737	45.738	10
474	246	818	0:SP3_SP2_SP3	C[5]	P[5]	C[5]	3:3:3:4:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3)	P[5](C[5]C[5]2C)(C[5]C[5]C)2	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3){2|C<4>,4|C<3>}	P[5](C[5]C[5]2C)(C[5]C[5]C)2{2|C<3>,4|C<4>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	109.4595	5.257	2	109.4595	27.640	2	109.4595	27.640	2	109.4595	27.640	2	107.3048	50.808	6	108.7737	45.738	10
474	246	818	5:SP3_SP2_SP3	C[5,6]	P[5,6]	C[5]	3:3:4:3:	4:4:3:	4:3:4:	P[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	104.5920	0.000	1	104.5920	0.000	1	104.5920	0.000	1	104.5920	0.000	1	104.5920	0.000	1	105.8024	9.273	8
474	246	818	5:SP3_SP2_SP3	C[5]	P[5,5]	C[5]	3:3:4:1:	3:4:3:	4:3:4:	P[5,5]-3:C[5]-3:C-4:H-1:	P[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H)	P[5,5](P[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3)	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H){1|C<3>,1|C<4>,2|O<2>}	P[5,5](P[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3){1|C<3>,1|C<4>}	109.2100	0.000	2	109.2100	0.000	2	109.2100	0.000	2	109.2100	0.000	2	109.2100	0.000	2	105.8024	9.273	8
474	246	818	5:SP3_SP2_SP3	C[5]	P[5]	C[5]	3:3:1:1:	3:4:4:	4:3:1:	P[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5]P[5]HH)(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2{2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	106.2655	0.168	2	103.9140	7.388	4	103.9140	7.388	4	103.9140	7.388	4	104.6814	8.485	5	105.8024	9.273	8
474	246	818	5:SP3_SP2_SP3	C[5]	P[5]	C[5]	3:3:1:1:	3:4:4:	4:3:1:	P[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5]P[5]HH)(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2{2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|H<1>,4|C<3>}	C[5](C[5]P[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	101.5625	0.128	2	103.9140	7.388	4	103.9140	7.388	4	103.9140	7.388	4	104.6814	8.485	5	105.8024	9.273	8
474	246	818	5:SP3_SP2_SP3	C[5]	P[5]	C[5]	3:3:4:1:	5:4:3:	4:2:4:	P[5]-3:C[5]-3:Si-4:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:N[5]-3:	C[5]-4:N[5]-2:Si-4:	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H)	C[5](C[5]P[5]SiH)(N[5]N[5])(SiC3)	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H){1|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H){1|Si<4>,1|C<5>,4|H<1>,5|B<6>}	C[5](C[5]P[5]SiH)(N[5]N[5])(SiC3){1|C<5>,1|H<1>}	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	104.6814	8.485	5	105.8024	9.273	8
474	246	852	5:SP3_SP3_SP3	C[5,5]	P[4x5]	P[3,5,5]	3:3:3:3:	3:3:4:	3:3:4:	P[3,5,5]-3:P[4x5]-3:C[6a]-3:C[6a]-3:	P[3x5,6]-3:P[3x5,6]-3:C[5,5]-4:	P[3,5,5,6]-3:P[3,5,5,6]-3:C[5,5]-4:	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(C[5,5]P[3,5,5]C[6a]2)	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2)	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2{2|P<3>,4|C<3>,4|H<1>}	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(C[5,5]P[3,5,5]C[6a]2){1|Nb<5>,4|C<3>}	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2){2|P<3>,4|C<3>}	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1
474	246	880	0:SP3_SP3_SP3	C[5,5]	P[3x5,6]	Si	3:3:4:1:	4:3:4:	4:4:4:4:	P[3x5,6]-3:P[3x5,6]-3:Si-4:H-1:	C[4,5,5,6]-4:P[4,5,5,6]-3:C[5,5]-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H)	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH)	Si(C[5,5]P[3x5,6]2H)(CH3)3	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H){2|P<3>,4|C<4>}	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH){1|P<3>,3|C<4>}	Si(C[5,5]P[3x5,6]2H)(CH3)3	119.4090	9.059	2	119.4090	82.074	2	119.4090	82.074	2	119.4090	82.074	2	119.4090	82.074	2	114.5798	97.405	19
474	246	880	0:SP3_SP3_SP3	C[5]	P[5]	Si	3:3:4:1:	5:4:3:	4:4:4:4:	P[5]-3:C[5]-3:Si-4:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:N[5]-3:	C[5]-4:C-4:C-4:C-4:	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H)	Si(C[5]C[5]P[5]H)(CH3)3	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H){1|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H){1|Si<4>,1|C<5>,4|H<1>,5|B<6>}	Si(C[5]C[5]P[5]H)(CH3)3	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	114.0117	101.193	17	114.5798	97.405	19
474	246	880	0:SP3_SP3_SP3	C[5]	P[5]	Si	3:4:4:4:	4:4:4:	4:4:4:4:	P[5]-3:C[5]-4:Si-4:Si-4:	C[3x6]-4:C[5]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2	P[5](C[3x6]C[6,6]3)(C[5]C[5]Si2)2	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<4>}	P[5](C[3x6]C[6,6]3)(C[5]C[5]Si2)2{10|H<1>,3|C<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	116.2160	14.821	4	116.2160	219.668	4	116.2160	219.668	4	116.2160	219.668	4	114.0117	101.193	17	114.5798	97.405	19
474	246	880	0:SP3_SP3_SP3	C[5]	P[5]	Si	4:3:4:4:	4:4:1:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:Cl-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2	P[5](C[5]C[5]Si2)2(Cl)	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2{2|Si<4>,2|H<1>}	P[5](C[5]C[5]Si2)2(Cl){4|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	112.8132	5.298	4	112.8132	28.073	4	112.8132	28.073	4	112.8132	28.073	4	114.0117	101.193	17	114.5798	97.405	19
474	246	880	0:SP3_SP3_SP3	C[5]	P[5]	Si	4:3:4:4:	4:4:4:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2	P[5](C[5]C[5]Si2)2(CC3)	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	P[5](C[5]C[5]Si2)2(CC3){4|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	116.2512	14.498	4	116.2512	210.203	4	114.2613	116.279	8	114.2613	116.279	8	114.0117	101.193	17	114.5798	97.405	19
474	246	880	0:SP3_SP3_SP3	C[5]	P[5]	Si	4:3:4:4:	4:4:4:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2	P[5](C[5]C[5]Si2)2(CH3)	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	P[5](C[5]C[5]Si2)2(CH3){4|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	112.2712	7.110	4	112.2712	50.555	4	114.2613	116.279	8	114.2613	116.279	8	114.0117	101.193	17	114.5798	97.405	19
474	246	951	0:SP3_SP-NON_SP3	C[4x5]	P[5,5]	H	4:4:3:1:	4:4:4:	4:	C[3x5,6]-4:C[3x5,6]-4:P[5,5]-3:H-1:	P[3,5,5]-4:C[4x5]-4:C[5]-4:	C[4x5]-4:	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H)	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C)	H(C[4x5]C[3x5,6]2P[5,5])	C[4x5](C[3x5,6]C[3,5,5,6]C[5,6]C)2(P[5,5]P[3,5,5]C[5])(H){1|Mo<6>,2|C<3>,5|C<4>}	P[5,5](P[3,5,5]C[3,5,5,6]2Mo)(C[4x5]C[3x5,6]2H)(C[5]C[5]2C){5|C<3>,5|C<4>}	H(C[4x5]C[3x5,6]2P[5,5])	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5,6]	P[5,5]	H	3:3:3:1:	4:4:1:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H)	P[5,5](C[5,5,6]C[5,6,6a]2H)2(Cl)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H){3|H<1>,4|C<3>}	P[5,5](C[5,5,6]C[5,6,6a]2H)2(Cl){4|C<3>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.5250	0.072	2	116.5250	0.005	2	116.5250	0.005	2	116.5250	0.005	2	116.3050	0.037	6	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5,6]	P[5,5]	H	3:3:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H)	P[5,5](C[5,5,6]C[5,6,6a]2H)2(NSi2)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	P[5,5](C[5,5,6]C[5,6,6a]2H)2(NSi2){4|C<3>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.2040	0.167	2	116.2040	0.028	2	116.2040	0.028	2	116.1950	0.011	4	116.3050	0.037	6	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5,6]	P[5,5]	H	3:3:3:1:	4:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H)	P[5,5](C[5,5,6]C[5,6,6a]2H)2(N[5,5]C[5,5,6]2)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	P[5,5](C[5,5,6]C[5,6,6a]2H)2(N[5,5]C[5,5,6]2){2|H<1>,8|C<3>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.1860	0.079	2	116.1860	0.006	2	116.1860	0.006	2	116.1950	0.011	4	116.3050	0.037	6	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5,6]	P[5,6]	H	3:4:4:1:	4:4:3:	4:	P[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	C[5,5,6](P[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,7|H<1>}	H(C[5,5,6]C[5,5]C[5,6]P[5,6])	114.2160	0.000	1	114.2160	0.000	1	114.2160	0.000	1	114.2160	0.000	1	114.2160	0.000	1	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5]	P[3x5,6]	H	3:3:4:1:	4:3:4:	4:	P[3x5,6]-3:P[3x5,6]-3:Si-4:H-1:	C[4,5,5,6]-4:P[4,5,5,6]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H)	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH)	H(C[5,5]P[3x5,6]2Si)	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H){2|P<3>,4|C<4>}	P[3x5,6](C[4,5,5,6]P[4,5,5,6]P[4,4,5]C)(P[4,5,5,6]C[4,5,5,6]C[4,4,5])(C[5,5]P[3x5,6]SiH){1|P<3>,3|C<4>}	H(C[5,5]P[3x5,6]2Si)	103.1820	0.226	2	103.1820	0.051	2	103.1820	0.051	2	103.1820	0.051	2	103.1820	0.051	2	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5]	P[5,5,6]	H	4:3:1:1:	3:4:3:	4:	C[5,5,6]-4:P[5,5,6]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2{2|C<3>,2|C<4>}	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){2|C<4>,3|C<3>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	112.2210	0.065	3	112.2210	0.004	3	112.2210	0.004	3	112.2210	0.004	3	112.2210	0.004	3	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5]	P[5]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:C[5,5]-4:P[5]-3:H-1:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H)	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2)	H(C[5,5]C[5,5]C[5,6]P[5])	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]P[5]H)(P[5]C[5]P[5])(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2){1|C<4>,5|H<1>,6|C<3>}	H(C[5,5]C[5,5]C[5,6]P[5])	102.2880	0.000	1	102.2880	0.000	1	102.2880	0.000	1	102.2880	0.000	1	98.6897	25.896	2	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,5]	P[5]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:C[5]-3:P[5]-3:H-1:	C[5,5]-4:P[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H)	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H)	H(C[5,5]C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5,6]P[5]H)(C[5]C[5,6]H)(P[5]P[5]H)(H){4|C<3>}	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5]C[5]P[5])	95.0914	0.000	1	95.0914	0.000	1	95.0914	0.000	1	95.0914	0.000	1	98.6897	25.896	2	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,6]	P[5,6]	H	3:4:1:1:	3:4:3:	4:	P[5,6]-3:C[5,6]-4:H-1:H-1:	P[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2	P[5,6](P[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])	H(C[5,6]C[5,6]P[5,6]H)	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	P[5,6](P[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]){3|C<4>,5|C<3>}	H(C[5,6]C[5,6]P[5,6]H)	110.3040	0.018	2	110.3040	0.000	2	110.3040	0.000	2	110.3040	0.000	2	110.6497	0.162	4	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5,6]	P[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:P[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	110.9955	0.080	2	110.9955	0.006	2	110.9955	0.006	2	110.9955	0.006	2	110.6497	0.162	4	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5,5]	H	3:3:4:1:	3:4:3:	4:	P[5,5]-3:C[5]-3:C-4:H-1:	P[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H)	P[5,5](P[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	H(C[5]P[5,5]C[5]C)	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H){1|C<3>,1|C<4>,2|O<2>}	P[5,5](P[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<4>}	H(C[5]P[5,5]C[5]C)	103.6420	0.000	2	103.6420	0.000	2	103.6420	0.000	2	103.6420	0.000	2	103.6420	0.000	2	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5,6]	H	3:4:4:1:	3:3:4:	4:	P[5,6]-3:Ge[5]-4:C-4:H-1:	P[5,6]-3:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H)	P[5,6](P[5,6]C[5,6]Ge[5])(C[5,6]P[5,6]C)(C[5]Ge[5]CH)	H(C[5]P[5,6]Ge[5]C)	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H){1|Ge<4>,1|P<3>,2|C<3>}	P[5,6](P[5,6]C[5,6]Ge[5])(C[5,6]P[5,6]C)(C[5]Ge[5]CH){1|C<3>,1|P<3>,5|C<4>}	H(C[5]P[5,6]Ge[5]C)	106.1670	0.000	1	106.1670	0.000	1	106.1670	0.000	1	106.1670	0.000	1	106.1670	0.000	1	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:P[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|P<3>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]P[5]H)	110.2265	0.112	8	110.2265	0.012	8	110.2265	0.012	8	110.2265	0.012	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:3:1:1:	3:4:4:	4:	P[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2{2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	110.4727	0.049	4	110.8996	0.285	7	110.8996	0.285	7	110.8996	0.285	7	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:3:1:1:	3:4:4:	4:	P[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2{2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|H<1>,4|C<3>}	H(C[5]C[5]P[5]H)	111.4687	0.025	3	110.8996	0.285	7	110.8996	0.285	7	110.8996	0.285	7	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:P[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)2(P[5]N[5]2)(H)	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H)	H(C[5]C[5]2P[5])	C[5](C[5]C[5]H)2(P[5]N[5]2)(H){2|H<1>,4|C<3>}	P[5](N[5]C[6a]C[5])2(C[5]C[5]2H){4|H<1>,6|C<3>}	H(C[5]C[5]2P[5])	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:3:3:1:	4:4:3:	4:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2)	H(C[5]N[5,6a]C[6a]P[5])	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	P[5](C[5]N[5,6a]C[6a]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	H(C[5]N[5,6a]C[6a]P[5])	108.9040	0.437	2	108.9040	0.191	2	108.9040	0.191	2	108.9040	0.191	2	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:3:4:1:	5:4:3:	4:	P[5]-3:C[5]-3:Si-4:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:N[5]-3:	C[5]-4:	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H)	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H)	H(C[5]C[5]P[5]Si)	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H){1|H<1>,4|B<6>}	P[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]SiH)(N[5]N[5]H){1|Si<4>,1|C<5>,4|H<1>,5|B<6>}	H(C[5]C[5]P[5]Si)	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:1:1:	3:3:4:	4:	P[5]-3:C[5]-4:H-1:H-1:	P[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{4|C<3>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	108.4887	0.177	4	108.4887	0.031	4	108.4887	0.031	4	108.4887	0.031	4	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:1:1:	3:4:3:	4:	P[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|Fe<5>,1|P<3>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){1|Fe<5>,1|P<3>,1|P<4>,3|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	109.0500	0.004	2	109.1026	0.049	5	109.2140	0.064	8	109.2140	0.064	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:1:1:	3:4:3:	4:	P[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){2|P<3>,3|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	109.1377	0.307	3	109.1026	0.049	5	109.2140	0.064	8	109.2140	0.064	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:1:1:	3:4:3:	4:	P[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:P[5]-3:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P){3|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	109.3997	0.208	3	109.3997	0.043	3	109.2140	0.064	8	109.2140	0.064	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H)	P[5](C[5]C[6a]C[5]H)2(CP[5]HH)	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	P[5](C[5]C[6a]C[5]H)2(CP[5]HH){4|C<3>,4|H<1>}	H(C[5]C[6a]C[5]P[5])	107.4218	1.273	4	107.4218	1.619	4	107.4218	1.619	4	107.3480	1.187	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H)	P[5](C[5]C[6a]C[5]H)2(C[5]C[5]2Fe)	H(C[5]C[6a]C[5]P[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	P[5](C[5]C[6a]C[5]H)2(C[5]C[5]2Fe){2|C<4>,4|C<3>,6|H<1>}	H(C[5]C[6a]C[5]P[5])	107.2742	1.066	4	107.2742	1.136	4	107.2742	1.136	4	107.3480	1.187	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:4:1:	3:4:4:	4:	P[5]-3:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2{1|P<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5]P[5]C)	107.6640	2.325	2	107.6640	5.405	2	107.6640	5.405	2	106.7734	7.356	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:4:1:	3:4:4:	4:	P[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|P<4>,2|C<3>,5|H<1>}	H(C[5]C[5]P[5]C)	107.7990	1.253	4	106.4765	8.794	6	106.4765	8.794	6	106.7734	7.356	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	3:4:4:1:	3:4:4:	4:	P[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2	H(C[5]C[5]P[5]C)	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	H(C[5]C[5]P[5]C)	103.8315	4.274	2	106.4765	8.794	6	106.4765	8.794	6	106.7734	7.356	8	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:P[5]-3:H-1:H-1:	P[5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]P[5]HH)	H(C[5]P[5]2H)	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2{6|C<3>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]P[5]HH){1|Os<4>,2|H<1>,6|C<3>}	H(C[5]P[5]2H)	108.5843	0.065	3	108.5843	0.004	3	108.5843	0.004	3	108.5843	0.004	3	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	4:3:1:1:	4:3:4:	4:	P[5]-4:P[5]-3:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2	P[5](P[5]C[6a]P[5]Os)(C[6a]C[6a]2)(C[5]P[5]HH)	H(C[5]P[5]2H)	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2{1|Os<4>,6|C<3>}	P[5](P[5]C[6a]P[5]Os)(C[6a]C[6a]2)(C[5]P[5]HH){1|Os<4>,2|H<1>,6|C<3>}	H(C[5]P[5]2H)	108.7085	0.018	2	108.7085	0.000	2	108.7085	0.000	2	108.7085	0.000	2	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	4:3:2:1:	3:4:4:	4:	C[5]-4:P[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3)	H(C[5]C[5]O[5]P[5])	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H){1|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3){1|H<1>,1|P<3>,2|C<3>,2|O<2>}	H(C[5]C[5]O[5]P[5])	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	4:3:3:1:	3:4:3:	4:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	H(C[5]C[6a]C[5]P[5])	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|O<2>,1|P<4>,3|H<1>,6|C<3>}	H(C[5]C[6a]C[5]P[5])	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	4:3:4:1:	4:4:3:	4:	C[5,5]-4:P[5]-3:C-4:H-1:	C[3x6]-4:C[5]-4:P[5]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H)	P[5](C[3x6]C[6,6]3)(C[5]C[5,5]CH)(P[5]C[5,5]C)	H(C[5]C[5,5]P[5]C)	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H){1|H<1>,6|C<4>}	P[5](C[3x6]C[6,6]3)(C[5]C[5,5]CH)(P[5]C[5,5]C){1|Fe<10>,5|C<4>,6|H<1>}	H(C[5]C[5,5]P[5]C)	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	4:3:4:1:	4:4:4:	4:	C[5]-4:P[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H)	P[5](C[5]C[5]CH)2(CHHN)	H(C[5]C[5]P[5]C)	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	P[5](C[5]C[5]CH)2(CHHN){4|H<1>}	H(C[5]C[5]P[5]C)	107.2950	0.847	2	107.2950	0.718	2	107.2950	0.718	2	107.2950	0.718	2	108.9388	3.963	59	109.2382	12.485	81
474	246	951	0:SP3_SP-NON_SP3	C[5]	P[5]	H	4:4:3:1:	4:2:2:	4:	C[5]-4:C[5]-4:P[5]-3:H-1:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H)	P[5](C[5]C[5]2H)(O[5]C[5])2	H(C[5]C[5]2P[5])	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(P[5]O[5]2)(H){2|C<4>,2|O<2>,4|H<1>}	P[5](C[5]C[5]2H)(O[5]C[5])2{1|P<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5]2P[5])	111.1700	1.034	2	111.1700	1.069	2	111.1700	1.069	2	111.1700	1.069	2	108.9388	3.963	59	109.2382	12.485	81
474	246	976	5:SP3_SP2_SP3	C[5]	P[5]	O[5]	4:3:2:1:	3:4:4:	3:4:	C[5]-4:P[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5]H)	C[5](C[5]O[5]P[5]H)(P[5]C[5,6a]C)(O[5]C[5,6a])(H){1|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3){1|H<1>,1|P<3>,2|C<3>,2|O<2>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5]H){1|C<4>,1|O<2>,1|P<3>,2|C<3>,2|H<1>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1
474	246	997	5:SP3_SP3_SP3	C[3x5,6,6]	P[5,5,6,6]	Se[5,5]	3:3:2:4:	4:4:2:	4:3:	P[5,5,6,6]-3:P[5,5,6,6]-3:Se[5,5]-2:C-4:	C[3x5,6,6]-4:C[4,5,6,6]-4:Se[5]-2:	C[3x5,6,6]-4:P[4,5,5,6]-3:	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3)	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5])	Se[5,5](C[3x5,6,6]P[5,5,6,6]2C)(P[4,5,5,6]C[4,5,6,6]2)	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3){1|Se<2>,2|C<4>}	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5]){1|C<4>}	Se[5,5](C[3x5,6,6]P[5,5,6,6]2C)(P[4,5,5,6]C[4,5,6,6]2){3|Se<2>,2|C<4>}	101.9385	1.009	2	101.9385	1.018	2	101.9385	1.018	2	101.9385	1.018	2	101.9385	1.018	2	100.7839	2.245	4
474	246	997	5:SP3_SP3_SP3	C[5,5,6,6]	P[5,6,6]	Se[5,5]	3:3:2:4:	4:4:2:	3:4:	P[5,6,6]-3:P[5,6,6]-3:Se[5,5]-2:C-4:	C[4,5,6,6]-4:C[5,5,6,6]-4:Se-2:	P[4,5,5,6]-3:C[5,5,6,6]-4:	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3)	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt)	Se[5,5](P[4,5,5,6]C[4,5,6,6]2)(C[5,5,6,6]P[5,6,6]2C)	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3){1|Se<3>,2|C<4>}	P[5,6,6](C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(C[5,5,6,6]P[5,6,6]Se[5,5]C)(SePt){1|Se<2>,1|C<4>}	Se[5,5](P[4,5,5,6]C[4,5,6,6]2)(C[5,5,6,6]P[5,6,6]2C){1|Se<3>,2|Se<2>,2|C<4>}	99.6293	0.620	2	99.6293	0.385	2	99.6293	0.385	2	99.6293	0.385	2	99.6293	0.385	2	100.7839	2.245	4
474	254	466	6:SP3_SP3_SP3	C[5,6]	Ge[6]	C[6]	3:3:4:4:	4:3:3:2:	4:3:3:1:	C[5,6a]-3:C[5,6a]-3:Ge[6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(Ge[6]C[6a]2O[6])(C[6]C[6]CH)	Ge[6](C[5,6]C[5,6a]2C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(Ge[6]C[6a]2O[6])(C[6]C[6]CH){3|H<1>,9|C<3>}	Ge[6](C[5,6]C[5,6a]2C[6])(C[6a]C[6a]2)2(O[6]C[6]){10|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H){2|O<2>,6|C<3>}	102.6760	0.000	1	102.6760	0.000	1	102.6760	0.000	1	102.6760	0.000	1	102.6760	0.000	1	102.6760	0.000	1
474	254	727	0:SP3_SP2_SP3	C[5,6]	Ge[6]	C[5,6a]	3:3:4:4:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,6a]-3:Ge[6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(Ge[6]C[6a]2O[6])(C[6]C[6]CH)	Ge[6](C[5,6]C[5,6a]2C[6])(C[6a]C[6a]2)2(O[6]C[6])	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(Ge[6]C[6a]2O[6])(C[6]C[6]CH){3|H<1>,9|C<3>}	Ge[6](C[5,6]C[5,6a]2C[6])(C[6a]C[6a]2)2(O[6]C[6]){10|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,7|C<3>}	114.0115	0.322	2	114.0115	0.104	2	114.0115	0.104	2	114.0115	0.104	2	114.0115	0.104	2	114.0115	0.104	2
474	278	818	0:SP3_SP2_SP2	C[5]	Ge[6]	C[5]	3:3:3:1:	3:3:4:	4:3:1:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	N[6]-3:N[6]-3:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H)	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H){2|H<1>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H){2|C<4>,2|H<1>,7|C<3>}	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	92.8678	0.184	2	92.8678	0.034	2	92.8678	0.034	2	92.8678	0.034	2	94.5485	3.790	4	94.5485	3.790	4
474	278	818	0:SP3_SP2_SP2	C[5]	Ge[6]	C[5]	3:3:3:1:	3:4:3:	4:3:1:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	N[6,6a]-3:C[5]-4:N[6]-3:	C[5]-4:C[5]-3:H-1:	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H)	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H){1|Si<4>,2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si){3|H<1>,6|C<3>}	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	96.2292	0.196	2	96.2292	0.039	2	96.2292	0.039	2	96.2292	0.039	2	94.5485	3.790	4	94.5485	3.790	4
474	278	951	0:SP3_SP-NON_SP2	C[5]	Ge[6]	H	3:3:3:1:	3:3:4:	4:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	N[6]-3:N[6]-3:C[5]-4:	C[5]-4:	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H)	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H)	H(C[5]Ge[6]C[5]2)	C[5](Ge[6]N[6]2)(C[5]C[5]H)2(H){2|H<1>,4|C<3>}	Ge[6](N[6]C[6a]C[6])2(C[5]C[5]2H){2|C<4>,2|H<1>,7|C<3>}	H(C[5]Ge[6]C[5]2)	119.8280	0.000	1	119.8280	0.000	1	119.8280	0.000	1	119.8280	0.000	1	119.0160	1.319	2	119.0160	1.319	2
474	278	951	0:SP3_SP-NON_SP2	C[5]	Ge[6]	H	3:3:3:1:	3:4:3:	4:	Ge[6]-3:C[5]-3:C[5]-3:H-1:	N[6,6a]-3:C[5]-4:N[6]-3:	C[5]-4:	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H)	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si)	H(C[5]Ge[6]C[5]2)	C[5](Ge[6]N[6,6a]N[6])(C[5]C[5]H)2(H){1|Si<4>,2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si){3|H<1>,6|C<3>}	H(C[5]Ge[6]C[5]2)	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	119.0160	1.319	2	119.0160	1.319	2
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2{3|C<4>,4|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.7200	0.000	1	114.7200	0.000	1	113.7570	4.315	3	113.7570	4.315	3	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	115.1780	0.000	1	115.1780	0.000	1	113.7570	4.315	3	113.7570	4.315	3	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	111.3730	0.000	1	111.3730	0.000	1	113.7570	4.315	3	113.7570	4.315	3	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	3:3:2:2:	4:4:	4:4:	C[5]-3:N[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	113.2820	0.000	1	113.2820	0.000	1	112.6970	0.684	2	112.6970	0.684	2	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	4:3:2:2:	4:4:	4:4:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,4|C<3>,4|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	112.1120	0.000	1	112.1120	0.000	1	112.6970	0.684	2	112.6970	0.684	2	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	4:4:2:2:	4:4:	4:4:	C[5,5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2{1|O<2>,4|C<4>,6|H<1>}	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<4>,4|H<1>}	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<4>,4|H<1>}	111.2715	0.364	2	111.2715	0.133	2	111.2715	0.133	2	110.8066	0.382	5	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<3>,1|O<2>,1|S<4>,3|C<4>,6|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	110.2940	0.000	1	110.2940	0.000	1	110.7230	0.368	2	110.8066	0.382	5	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<2>,3|C<4>,7|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){1|N<3>,3|C<4>,5|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){1|N<3>,3|C<4>,5|H<1>}	111.1520	0.000	1	111.1520	0.000	1	110.7230	0.368	2	110.8066	0.382	5	111.9804	2.903	11	111.9804	2.903	11
474	286	286	6:SP3_SP3_SP3	C[5,6]	S[6]	S[6]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2{1|C<4>,2|O<2>,6|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.8066	0.382	5	111.9804	2.903	11	111.9804	2.903	11
474	286	466	0:SP3_SP2_SP3	C[5,3x6]	S[6]	C[3x6]	4:4:2:3:	4:3:	4:3:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|Br<1>,1|C<4>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	110.6375	0.166	2	110.6375	0.028	2	110.6375	0.028	2	108.6004	4.001	5	108.5668	3.207	6	108.5668	3.207	6
474	286	466	0:SP3_SP2_SP3	C[5,3x6]	S[6]	C[3x6]	4:4:2:3:	4:3:	4:3:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	107.1280	1.437	2	107.2423	1.071	3	107.2423	1.071	3	108.6004	4.001	5	108.5668	3.207	6	108.5668	3.207	6
474	286	466	0:SP3_SP2_SP3	C[5,3x6]	S[6]	C[3x6]	4:4:2:3:	4:3:	4:3:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	107.4710	0.000	1	107.2423	1.071	3	107.2423	1.071	3	108.6004	4.001	5	108.5668	3.207	6	108.5668	3.207	6
474	286	466	0:SP3_SP2_SP3	C[5,3x6]	S[6]	C[3x6]	4:4:2:3:	4:3:	4:3:3:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|S<2>,2|N<3>,2|O<1>,5|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.5668	3.207	6	108.5668	3.207	6
474	286	466	6:SP3_SP2_SP3	C[5,6]	S[6]	C[6]	3:2:4:2:	4:3:	4:4:1:1:	C[5,6a]-3:S[6]-2:C[6]-4:N[5]-2:	C[5,6]-4:C[5a,6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5])	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a])	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2{1|S<4>,6|C<3>}	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1
474	286	466	6:SP3_SP3_SP3	C[5,6,6]	S[6,6]	C[3x6]	4:3:2:3:	4:4:	4:3:3:1:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C)	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	111.0483	7.579	3
474	286	466	6:SP3_SP3_SP3	C[5,6]	S[6]	C[6]	3:4:3:2:	4:4:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[5]-3:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6])	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6]){1|Br<1>,1|C<4>,4|H<1>,5|C<3>}	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	112.3695	2.164	2	112.3695	4.685	2	112.3695	4.685	2	112.3695	4.685	2	112.3695	4.685	2	111.0483	7.579	3
474	286	474	0:SP3_SP2_SP3	C[5,6,6]	S[6]	C[5,5,6]	4:4:2:1:	4:3:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O)	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O){2|H<1>,3|C<4>,3|S<2>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|S<2>,4|H<1>}	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	111.5906	8.756	9
474	286	474	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	2:2:4:3:	3:4:	4:4:2:1:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C)	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	111.5375	0.368	2	111.5375	0.136	2	111.5375	0.136	2	111.5375	0.136	2	112.0229	8.085	8	111.5906	8.756	9
474	286	474	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	3:2:4:1:	3:4:	4:3:4:4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	110.1210	0.000	1	110.1210	0.000	1	111.0765	1.826	2	111.0765	1.826	2	112.0229	8.085	8	111.5906	8.756	9
474	286	474	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	3:2:4:1:	3:4:	4:3:4:4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]H)(CH3)2	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|O<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	112.0320	0.000	1	112.0320	0.000	1	111.0765	1.826	2	111.0765	1.826	2	112.0229	8.085	8	111.5906	8.756	9
474	286	474	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	4:2:4:1:	3:4:	4:4:1:1:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	112.0229	8.085	8	111.5906	8.756	9
474	286	474	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	4:4:2:1:	4:3:	4:4:1:1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5]){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	109.2570	1.136	2	109.2570	1.290	2	109.2570	1.290	2	111.4050	14.487	3	112.0229	8.085	8	111.5906	8.756	9
474	286	474	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	4:4:2:1:	4:3:	4:4:1:1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	115.7010	0.000	1	115.7010	0.000	1	115.7010	0.000	1	111.4050	14.487	3	112.0229	8.085	8	111.5906	8.756	9
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:2:4:	4:2:	4:3:2:1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:2:4:	4:2:	4:4:1:1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:4:2:	4:2:	4:4:1:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>,2|O<1>}	111.6290	0.000	1	110.3368	1.512	5	110.3368	1.512	5	110.3368	1.512	5	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:4:2:	4:2:	4:4:1:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|O<1>}	110.7070	0.000	1	110.3368	1.512	5	110.3368	1.512	5	110.3368	1.512	5	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:4:2:	4:2:	4:4:1:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	109.0845	0.630	2	110.3368	1.512	5	110.3368	1.512	5	110.3368	1.512	5	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:4:2:	4:2:	4:4:1:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	111.1790	0.000	1	110.3368	1.512	5	110.3368	1.512	5	110.3368	1.512	5	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:4:2:	4:2:	4:4:2:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,2|N<3>,4|C<3>}	110.8905	0.445	2	110.8905	0.198	2	112.0443	1.856	4	112.0443	1.856	4	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:3:4:2:	4:2:	4:4:2:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	113.1980	0.211	2	113.1980	0.044	2	112.0443	1.856	4	112.0443	1.856	4	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,3x6]	S[6,6]	C[5]	3:4:3:2:	4:2:	4:3:1:1:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6a]-3:H-1:H-1:	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	110.8436	1.948	12	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6,6]	S[6]	C[5,5,6]	4:4:2:1:	4:4:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2)	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2){1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]S[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|S<2>,4|H<1>}	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6,6]	S[6]	C[5]	3:4:3:2:	4:4:	4:4:1:1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	111.9018	0.963	5	111.9018	0.927	5	111.9018	0.927	5	111.9018	0.927	5	111.9018	0.927	5	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5,5]	4:4:2:2:	4:4:	4:3:4:1:	C[5,5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH)	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2{1|O<2>,4|C<4>,6|H<1>}	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	108.7825	1.716	4	108.7825	2.944	4	108.7825	2.944	4	108.7825	2.944	4	108.7825	2.944	4	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5,6]	4:4:2:2:	4:4:	4:3:4:1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<2>,3|C<4>,7|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	108.3020	6.051	2	108.3020	36.620	2	108.3020	36.620	2	108.3020	36.620	2	108.8650	12.700	4	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5,6]	4:4:2:2:	4:4:	4:4:4:1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<3>,1|O<2>,1|S<4>,3|C<4>,6|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	109.4280	0.461	2	109.4280	0.213	2	109.4280	0.213	2	109.4280	0.213	2	108.8650	12.700	4	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:3:2:2:	4:4:	4:3:3:1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:3:2:2:	4:4:	4:3:3:2:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,4|C<3>,4|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	114.5650	4.374	2	114.5650	19.133	2	114.5650	19.133	2	114.5650	19.133	2	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:3:2:2:	4:4:	4:4:3:1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	115.1240	0.717	2	115.1240	0.514	2	115.1240	0.514	2	114.2240	2.687	3	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:3:2:2:	4:4:	4:4:3:1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	114.2240	2.687	3	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:4:2:1:	4:2:	4:3:2:1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:S[6]-2:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	S[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:4:2:2:	4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<3>,1|O<2>,1|S<4>,3|C<4>,6|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	112.0260	0.617	2	112.0260	0.380	2	112.3170	0.321	4	110.2052	12.115	6	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:4:2:2:	4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<2>,3|C<4>,7|H<1>}	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	112.6080	0.495	2	112.6080	0.245	2	112.3170	0.321	4	110.2052	12.115	6	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:4:2:2:	4:4:	4:4:1:1:	C[5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2{1|C<4>,2|O<2>,6|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	105.9815	2.469	2	105.9815	6.094	2	105.9815	6.094	2	110.2052	12.115	6	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:4:2:2:	4:4:	4:4:2:1:	C[5,5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2{1|O<2>,4|C<4>,6|H<1>}	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H){1|H<1>,4|C<4>}	113.4940	3.145	4	113.4940	9.892	4	113.4940	9.892	4	113.4940	9.892	4	112.7938	10.931	19	111.4192	8.285	45
474	286	474	0:SP3_SP3_SP3	C[5,6]	S[6]	C[5]	4:4:2:2:	4:4:	4:4:4:1:	C[5]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2{1|C<4>,2|O<2>,6|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	114.6430	4.442	2	114.6430	19.732	2	114.6430	19.732	2	114.6430	19.732	2	112.7938	10.931	19	111.4192	8.285	45
474	286	474	6:SP3_SP2_SP3	C[5,3x6]	S[6]	C[5,3x6]	4:4:2:3:	4:3:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|Br<1>,1|C<4>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	119.1635	0.873	2	119.1635	0.763	2	120.2988	1.593	6	120.2988	1.593	6	120.2988	1.593	6	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,3x6]	S[6]	C[5,3x6]	4:4:2:3:	4:3:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|S<2>,2|N<3>,2|O<1>,5|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	119.3600	0.000	1	119.3600	0.000	1	120.2988	1.593	6	120.2988	1.593	6	120.2988	1.593	6	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,3x6]	S[6]	C[5,3x6]	4:4:2:3:	4:3:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	121.4675	0.499	2	121.4675	0.249	2	120.2988	1.593	6	120.2988	1.593	6	120.2988	1.593	6	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,3x6]	S[6]	C[5,3x6]	4:4:2:3:	4:3:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	121.1710	0.000	1	121.1710	0.000	1	120.2988	1.593	6	120.2988	1.593	6	120.2988	1.593	6	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,6,6]	S[6]	C[5,6,6]	4:4:2:1:	4:3:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O){2|H<1>,3|C<4>,3|S<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6]	3:4:2:1:	4:3:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[5a,6]-3:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a])	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	114.1735	11.873	2	113.2893	5.242	7	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6]	3:4:2:1:	4:3:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	114.1735	11.873	2	113.2893	5.242	7	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6]	4:2:2:1:	4:3:	4:2:2:1:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl){3|Cl<1>,1|C<3>,2|S<2>}	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	113.2893	5.242	7	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6]	4:2:4:1:	3:4:	4:3:4:1:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	113.2893	5.242	7	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6]	4:4:2:1:	4:3:	4:4:2:1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5]){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	115.0225	1.503	2	115.0225	2.258	2	115.0225	2.258	2	113.7690	5.843	3	113.2893	5.242	7	116.6748	15.559	14
474	286	474	6:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6]	4:4:2:1:	4:3:	4:4:2:1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	113.7690	5.843	3	113.2893	5.242	7	116.6748	15.559	14
474	286	474	6:SP3_SP3_SP3	C[5,6,6]	S[6]	C[5,6,6]	4:4:2:1:	4:4:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2){1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	112.1666	5.107	10
474	286	474	6:SP3_SP3_SP3	C[5,6,6]	S[6]	C[5,6]	4:3:3:2:	4:4:	4:4:1:1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	109.9380	0.000	1	109.9380	0.000	1	109.7575	0.065	2	109.7575	0.065	2	109.7575	0.065	2	112.1666	5.107	10
474	286	474	6:SP3_SP3_SP3	C[5,6,6]	S[6]	C[5,6]	4:3:3:2:	4:4:	4:4:1:1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	109.5770	0.000	1	109.5770	0.000	1	109.7575	0.065	2	109.7575	0.065	2	109.7575	0.065	2	112.1666	5.107	10
474	286	474	6:SP3_SP3_SP3	C[5,6]	S[6]	C[5,6]	3:3:4:2:	4:2:	3:3:4:2:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:S[6]-2:	C[5,6]-4:S[6]-2:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:S[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6])	S[6](C[5,6]C[5,6a]2C[5,6])(S[6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6]){1|S<2>,2|H<1>,8|C<3>}	S[6](C[5,6]C[5,6a]2C[5,6])(S[6]S[6]){1|S<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6]){1|S<2>,2|H<1>,8|C<3>}	113.8515	0.812	2	113.8515	0.660	2	113.8515	0.660	2	113.8515	0.660	2	112.2377	2.598	7	112.1666	5.107	10
474	286	474	6:SP3_SP3_SP3	C[5,6]	S[6]	C[5,6]	4:2:2:1:	4:4:	4:2:2:1:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2){2|Cl<1>,1|C<3>,2|S<2>}	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	112.2377	2.598	7	112.1666	5.107	10
474	286	474	6:SP3_SP3_SP3	C[5,6]	S[6]	C[5,6]	4:3:2:1:	4:4:	4:4:2:1:	C[5,6]-4:C[5]-3:S[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H){1|C<4>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.0147	0.502	3	111.0147	0.252	3	111.0147	0.252	3	111.0147	0.252	3	112.2377	2.598	7	112.1666	5.107	10
474	286	474	6:SP3_SP3_SP3	C[5,6]	S[6]	C[5,6]	4:4:2:1:	4:2:	4:4:2:1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:S[6]-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	S[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	112.2377	2.598	7	112.1666	5.107	10
474	286	490	0:SP3_SP3_SP3	C[5,6]	S[6]	C	3:3:2:4:	4:4:	4:1:1:1:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	S[6](C[5,6]C[5,6a]C[5,6]C)2	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]C)2{1|N<3>,6|C<3>}	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	109.2255	1.790	2	109.2255	3.203	2	109.2255	3.203	2	109.2255	3.203	2	109.2255	3.203	2	109.2255	3.203	2
474	286	542	0:SP3_SP2_SP3	C[5,6,6]	S[6]	N[5,6]	4:3:3:2:	4:4:	4:4:3:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	111.7000	0.000	1	111.7000	0.000	1	111.9240	0.100	2	111.9240	0.100	2	111.9240	0.100	2	111.9240	0.100	2
474	286	542	0:SP3_SP2_SP3	C[5,6,6]	S[6]	N[5,6]	4:3:3:2:	4:4:	4:4:3:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	112.1480	0.000	1	112.1480	0.000	1	111.9240	0.100	2	111.9240	0.100	2	111.9240	0.100	2	111.9240	0.100	2
474	286	542	0:SP3_SP3_SP3	C[5,6]	S[6]	N[5]	3:3:2:2:	4:4:	4:4:1:	C[5]-3:N[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH)	N[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(H)	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	110.6875	0.476	2	110.6875	0.226	2	110.6875	0.226	2	110.6875	0.226	2	110.6875	0.226	2	110.6875	0.226	2
474	286	542	6:SP3_SP2_SP2	C[5,6]	S[6]	N[5,6]	3:2:4:1:	3:4:	4:4:3:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|O<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:2:4:	4:2:	4:3:4:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	111.6650	0.000	1	111.6650	0.000	1	111.7470	0.013	2	111.7470	0.013	2	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:2:4:	4:2:	4:3:4:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>}	111.8290	0.000	1	111.8290	0.000	1	111.7470	0.013	2	111.7470	0.013	2	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:4:2:	4:2:	4:4:3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	112.5995	0.011	2	113.2775	0.637	4	113.2775	0.637	4	111.8939	2.213	9	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:4:2:	4:2:	4:4:3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	113.9555	0.269	2	113.2775	0.637	4	113.2775	0.637	4	111.8939	2.213	9	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:4:2:	4:2:	4:4:3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	111.8210	0.000	1	110.7870	0.502	5	110.7870	0.502	5	111.8939	2.213	9	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:4:2:	4:2:	4:4:3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	110.4770	0.000	1	110.7870	0.502	5	110.7870	0.502	5	111.8939	2.213	9	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:4:2:	4:2:	4:4:3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	110.6040	0.000	1	110.7870	0.502	5	110.7870	0.502	5	111.8939	2.213	9	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:3:4:2:	4:2:	4:4:3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	110.5165	0.815	2	110.7870	0.502	5	110.7870	0.502	5	111.8939	2.213	9	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	N[5,6,6]	3:4:3:2:	4:2:	4:3:3:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	111.5337	2.949	12	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,6,6]	S[6]	N[5,6,6]	3:4:3:2:	4:4:	4:4:3:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	109.4380	0.000	1	109.4380	0.000	1	109.2022	0.073	4	109.2022	0.073	4	109.2022	0.073	4	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,6,6]	S[6]	N[5,6,6]	3:4:3:2:	4:4:	4:4:3:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	109.1237	0.270	3	109.1237	0.073	3	109.2022	0.073	4	109.2022	0.073	4	109.2022	0.073	4	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,6]	S[6]	N[5,6]	3:2:4:1:	3:4:	4:4:3:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<3>,3|C<4>}	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	112.0613	8.211	3	111.1262	3.806	19
474	286	542	6:SP3_SP2_SP3	C[5,6]	S[6]	N[5,6]	3:3:2:2:	4:4:	4:4:3:	C[5a]-3:N[5,6]-3:S[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH)	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	112.7345	3.702	2	112.7345	13.703	2	112.7345	13.703	2	112.7345	13.703	2	112.0613	8.211	3	111.1262	3.806	19
474	286	542	6:SP3_SP3_SP3	C[5,6,6]	S[6]	N[5,6,6]	3:4:3:2:	4:4:	4:4:3:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1
474	286	727	0:SP3_SP2_SP2	C[5,6]	S[6]	C[5,6a]	3:2:4:2:	4:3:	4:3:3:	C[5,6a]-3:S[6]-2:C[6]-4:N[5]-2:	C[5,6]-4:C[5a,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5])	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a])	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	104.0670	0.000	1	104.0670	0.000	1	104.0670	0.000	1	104.0670	0.000	1	106.4047	5.879	3	106.4047	5.879	3
474	286	727	0:SP3_SP2_SP2	C[5,6]	S[6]	C[5,6a]	3:4:2:1:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[5a,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a])	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	107.5735	3.562	2	106.4047	5.879	3	106.4047	5.879	3
474	286	727	0:SP3_SP2_SP2	C[5,6]	S[6]	C[5,6a]	3:4:2:1:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	107.5735	3.562	2	106.4047	5.879	3	106.4047	5.879	3
474	286	727	0:SP3_SP2_SP3	C[5,6,6]	S[6,6]	C[5,6a]	4:3:2:3:	4:4:	4:3:3:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C)	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	108.8266	27.832	11
474	286	727	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6a]	3:3:2:4:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	S[6](C[5,6]C[5,6a]C[5,6]C)2	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]C)2{1|N<3>,6|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.6625	3.273	2	112.6625	10.714	2	112.6625	10.714	2	112.6625	10.714	2	107.6131	24.719	8	108.8266	27.832	11
474	286	727	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6a]	3:3:4:2:	4:2:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:S[6]-2:	C[5,6]-4:S[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6])	S[6](C[5,6]C[5,6a]2C[5,6])(S[6]S[6])	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6]){1|S<2>,2|H<1>,8|C<3>}	S[6](C[5,6]C[5,6a]2C[5,6])(S[6]S[6]){1|S<2>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	105.9753	5.571	4	105.9753	31.037	4	105.9753	31.037	4	105.9753	31.037	4	107.6131	24.719	8	108.8266	27.832	11
474	286	727	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6a]	3:4:3:2:	4:4:	4:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6])	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6]){1|Br<1>,1|C<4>,4|H<1>,5|C<3>}	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	105.8395	1.092	2	105.8395	1.194	2	105.8395	1.194	2	105.8395	1.194	2	107.6131	24.719	8	108.8266	27.832	11
474	286	727	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5a]	3:3:2:2:	4:4:	3:4:3:	C[5a]-3:N[5,6]-3:S[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5a,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H)	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H){1|H<1>,3|C<3>,4|C<4>}	109.5010	4.766	2	109.5010	22.714	2	109.5010	22.714	2	109.5010	22.714	2	109.5010	22.714	2	108.8266	27.832	11
474	286	762	0:SP3_SP2_SP3	C[5,6,6]	S[6]	C[6]	3:4:3:2:	4:4:	4:3:1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	108.4690	0.000	1	108.4690	0.000	1	109.0362	1.198	5	109.0362	1.198	5	108.0576	3.615	7	108.0576	3.615	7
474	286	762	0:SP3_SP2_SP3	C[5,6,6]	S[6]	C[6]	3:4:3:2:	4:4:	4:3:1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	108.1885	0.688	2	109.1780	1.464	4	109.0362	1.198	5	109.0362	1.198	5	108.0576	3.615	7	108.0576	3.615	7
474	286	762	0:SP3_SP2_SP3	C[5,6,6]	S[6]	C[6]	3:4:3:2:	4:4:	4:3:1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	110.1675	0.032	2	109.1780	1.464	4	109.0362	1.198	5	109.0362	1.198	5	108.0576	3.615	7	108.0576	3.615	7
474	286	762	0:SP3_SP2_SP3	C[5,6,6]	S[6]	C[6]	4:3:3:2:	4:4:	4:3:1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:N[5,6,6]-3:O-1:	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	105.8700	0.000	1	105.8700	0.000	1	105.8700	0.000	1	105.6110	0.134	2	108.0576	3.615	7	108.0576	3.615	7
474	286	762	0:SP3_SP2_SP3	C[5,6,6]	S[6]	C[6]	4:3:3:2:	4:4:	4:3:1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	105.6110	0.134	2	108.0576	3.615	7	108.0576	3.615	7
474	286	762	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	C[6,6]	3:3:2:4:	4:2:	4:3:1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	103.9200	0.000	1	103.9200	0.000	1	103.3770	0.590	2	103.3770	0.590	2	102.2806	4.681	12	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	C[6,6]	3:3:2:4:	4:2:	4:3:1:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	102.8340	0.000	1	102.8340	0.000	1	103.3770	0.590	2	103.3770	0.590	2	102.2806	4.681	12	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	C[6,6]	3:3:4:2:	4:2:	4:3:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	102.1180	1.382	2	103.3406	2.406	5	103.3406	2.406	5	101.7476	4.896	9	102.2806	4.681	12	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	C[6,6]	3:3:4:2:	4:2:	4:3:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[5,3x6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	104.1557	1.169	3	103.3406	2.406	5	103.3406	2.406	5	101.7476	4.896	9	102.2806	4.681	12	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	C[6,6]	3:3:4:2:	4:2:	4:3:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	100.2510	0.119	2	99.7565	0.331	4	99.7565	0.331	4	101.7476	4.896	9	102.2806	4.681	12	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	C[6,6]	3:3:4:2:	4:2:	4:3:1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	99.2619	0.020	2	99.7565	0.331	4	99.7565	0.331	4	101.7476	4.896	9	102.2806	4.681	12	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,3x6]	S[6,6]	C[6,6]	3:4:3:2:	4:2:	4:3:1:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	C[5,3x6]-4:S[6,6]-2:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	S[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(S[6,6]C[3x6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	104.8840	0.000	1	104.8840	0.000	1	104.8840	0.000	1	104.8840	0.000	1	102.2806	4.681	12	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,6]	S[6]	C[6]	2:3:2:2:	4:4:	4:2:1:	S[6]-2:C[6]-3:S[5]-2:S[5]-2:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:S[6]-2:O-1:	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2)	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O)	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2{1|H<1>,2|C<3>,2|C<4>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2){1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O){1|H<1>,2|C<3>,2|C<4>}	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	108.8090	0.537	3	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,6]	S[6]	C[6]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	109.3240	0.000	1	109.2285	0.018	2	109.2285	0.018	2	109.2285	0.018	2	108.8090	0.537	3	103.5863	11.061	15
474	286	762	6:SP3_SP2_SP3	C[5,6]	S[6]	C[6]	4:3:2:2:	4:4:	3:4:1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.1330	0.000	1	109.2285	0.018	2	109.2285	0.018	2	109.2285	0.018	2	108.8090	0.537	3	103.5863	11.061	15
474	286	790	0:SP3_SP-NON_SP2	C[5,6]	S[6]	Cl	4:2:2:1:	4:3:	4:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl)	Cl(C[5,6]C[5,6]S[5]S[6])	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl){3|Cl<1>,1|C<3>,2|S<2>}	Cl(C[5,6]C[5,6]S[5]S[6])	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1
474	286	790	0:SP3_SP-NON_SP3	C[5,6]	S[6]	Cl	4:2:2:1:	4:4:	4:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2)	Cl(C[5,6]C[5,6]S[5]S[6])	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2){2|Cl<1>,1|C<3>,2|S<2>}	Cl(C[5,6]C[5,6]S[5]S[6])	101.2910	0.000	1	101.2910	0.000	1	101.2910	0.000	1	101.2910	0.000	1	101.2910	0.000	1	101.2910	0.000	1
474	286	818	0:SP3_SP2_SP2	C[5,3x6]	S[6]	C[5]	4:4:2:3:	4:3:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|Br<1>,1|C<4>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|Br<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	102.4715	0.951	2	102.4715	0.905	2	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6
474	286	818	0:SP3_SP2_SP2	C[5,3x6]	S[6]	C[5]	4:4:2:3:	4:3:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|S<2>,2|N<3>,2|O<1>,5|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<2>,4|C<3>}	103.1690	0.000	1	103.1690	0.000	1	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6
474	286	818	0:SP3_SP2_SP2	C[5,3x6]	S[6]	C[5]	4:4:2:3:	4:3:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	103.2580	1.304	2	102.9510	1.133	3	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6
474	286	818	0:SP3_SP2_SP2	C[5,3x6]	S[6]	C[5]	4:4:2:3:	4:3:	4:3:1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	102.3370	0.000	1	102.9510	1.133	3	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6	102.8275	0.717	6
474	286	818	0:SP3_SP2_SP3	C[5,6,6]	S[6,6]	C[5]	4:3:2:3:	4:4:	4:3:1:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C)	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	3:2:2:2:	4:4:	3:4:1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O)	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2{3|C<4>,4|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O){2|H<1>,4|C<4>}	108.6685	3.174	2	108.6685	10.076	2	108.6685	10.076	2	108.4590	4.991	4	107.9874	4.873	17	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	3:2:2:2:	4:4:	3:4:1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]S[6]2)(O){1|H<1>,2|C<3>,2|C<4>}	108.2495	2.173	2	108.2495	4.722	2	108.2495	4.722	2	108.4590	4.991	4	107.9874	4.873	17	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	3:2:2:2:	4:4:	4:3:1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	109.7320	0.034	2	109.7320	0.001	2	109.7320	0.001	2	109.7320	0.001	2	107.9874	4.873	17	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	3:3:2:2:	4:4:	4:3:1:	C[5]-3:N[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH)	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	109.5395	1.989	2	109.5395	3.956	2	109.5395	3.956	2	109.5395	3.956	2	107.9874	4.873	17	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	3:4:3:2:	4:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6])	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6]){1|Br<1>,1|C<4>,4|H<1>,5|C<3>}	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	107.3060	0.433	2	107.3060	0.187	2	107.3060	0.187	2	107.3060	0.187	2	107.9874	4.873	17	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	4:3:2:1:	4:4:	4:2:1:	C[5,6]-4:C[5]-3:S[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H){1|C<4>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5,6])(O){1|O<2>,2|C<4>,2|H<1>}	108.7733	0.394	3	108.7733	0.155	3	108.7733	0.155	3	108.7733	0.155	3	107.9874	4.873	17	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	4:3:2:2:	4:4:	4:3:1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	105.4590	3.049	2	105.4590	9.297	2	105.6185	7.170	4	105.6185	7.170	4	107.9874	4.873	17	108.2398	5.733	18
474	286	818	0:SP3_SP2_SP3	C[5,6]	S[6]	C[5]	4:3:2:2:	4:4:	4:3:1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,4|C<3>,4|H<1>}	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){1|O<2>,2|C<4>,4|C<3>}	105.7780	3.480	2	105.7780	12.113	2	105.6185	7.170	4	105.6185	7.170	4	107.9874	4.873	17	108.2398	5.733	18
474	286	818	6:SP3_SP2_SP3	C[5,6]	S[6]	C[5,6]	3:3:2:4:	4:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	S[6](C[5,6]C[5,6a]C[5,6]C)2	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]C)2{1|N<3>,6|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni){1|C<4>,1|N<3>,4|C<3>}	110.9345	3.259	2	110.9345	10.621	2	110.9345	10.621	2	110.9345	10.621	2	110.9345	10.621	2	110.9345	10.621	2
474	286	891	0:SP3_SP2_SP2	C[5,6]	S[6]	S[5]	4:2:2:1:	4:3:	4:3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl)	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl){3|Cl<1>,1|C<3>,2|S<2>}	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O){1|Cl<1>,1|C<3>,1|S<2>}	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1
474	286	891	0:SP3_SP2_SP3	C[5,6]	S[6]	S[5]	2:3:2:2:	4:4:	4:3:	S[6]-2:C[6]-3:S[5]-2:S[5]-2:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2)	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C)	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2{1|H<1>,2|C<3>,2|C<4>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2){1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	110.4385	5.546	2	110.4385	30.756	2	110.4385	30.756	2	110.4385	30.756	2	111.7237	20.333	3	111.7237	20.333	3
474	286	891	0:SP3_SP2_SP3	C[5,6]	S[6]	S[5]	4:2:2:1:	4:4:	4:3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2)	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2){2|Cl<1>,1|C<3>,2|S<2>}	S[5](C[5,6]C[5,6]S[6]Cl)(C[5]S[5]O){1|Cl<1>,1|C<4>,1|S<2>}	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	111.7237	20.333	3	111.7237	20.333	3
474	286	891	0:SP3_SP3_SP3	C[5,6]	S[6]	S[5]	3:3:2:2:	4:4:	4:4:	C[5a]-3:N[5,6]-3:S[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH)	S[5](C[5,6]N[5,6]C[5a]S[6])(C[5]C[5]HH)	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	S[5](C[5,6]N[5,6]C[5a]S[6])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	108.6365	3.481	2	108.6365	12.118	2	108.6365	12.118	2	108.6365	12.118	2	108.6365	12.118	2	108.6365	12.118	2
474	286	930	0:SP3_SP2_SP2	C[5,6]	S[6]	C	2:2:4:3:	3:4:	4:2:1:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:O-2:O-1:	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C)	C(C[5,6]O[5,6]C[5]S[6])(OC)(O)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5,6]O[5,6]C[5]S[6])(OC)(O)	105.3335	0.088	2	105.3335	0.008	2	105.3335	0.008	2	105.3335	0.008	2	105.3335	0.008	2	105.3335	0.008	2
474	286	951	0:SP3_SP-NON_SP2	C[5,6,6]	S[6]	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O)	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O){2|H<1>,3|C<4>,3|S<2>}	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP2	C[5,6]	S[6]	H	3:2:4:1:	3:4:	4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	H(C[5,6]N[5,6]C[5]S[6])	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]S[6])	110.9520	0.000	1	110.9185	0.002	2	110.9185	0.002	2	110.9185	0.002	2	109.5751	0.907	8	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP2	C[5,6]	S[6]	H	3:2:4:1:	3:4:	4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	H(C[5,6]N[5,6]C[5]S[6])	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|O<1>,2|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]S[6])	110.8850	0.000	1	110.9185	0.002	2	110.9185	0.002	2	110.9185	0.002	2	109.5751	0.907	8	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP2	C[5,6]	S[6]	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[5a,6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a])	H(C[5,6]C[5,6a]C[5,6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]S[6])	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.2265	0.045	2	109.5751	0.907	8	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP2	C[5,6]	S[6]	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[5,6]C[5,6a]C[5,6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]S[6])	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	109.2265	0.045	2	109.5751	0.907	8	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP2	C[5,6]	S[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	109.5751	0.907	8	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP2	C[5,6]	S[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5]){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	109.1510	1.126	2	109.1510	1.267	2	109.1510	1.267	2	109.1993	0.641	3	109.5751	0.907	8	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP2	C[5,6]	S[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.1993	0.641	3	109.5751	0.907	8	109.4796	0.876	9
474	286	951	0:SP3_SP-NON_SP3	C[5,6,6]	S[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2)	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2){1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]S[6])	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	111.0384	2.050	5
474	286	951	0:SP3_SP-NON_SP3	C[5,6]	S[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[5]-3:S[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H){1|C<4>,3|H<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]S[6])	111.9907	0.157	3	111.9907	0.025	3	111.9907	0.025	3	111.9907	0.025	3	111.6010	0.624	4	111.0384	2.050	5
474	286	951	0:SP3_SP-NON_SP3	C[5,6]	S[6]	H	4:4:2:1:	4:2:	4:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-4:S[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])	H(C[5,6]C[5,6]C[5]S[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(S[6]S[6])(H){2|C<3>,2|C<4>}	S[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]S[6])	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	111.6010	0.624	4	111.0384	2.050	5
474	286	960	0:SP3_SP2_SP2	C[5,6]	S[6]	N[5]	3:2:4:2:	4:3:	4:4:	C[5,6a]-3:S[6]-2:C[6]-4:N[5]-2:	C[5,6]-4:C[5a,6]-3:	C[5,6]-4:S[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5])	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a])	N[5](C[5,6]C[5,6a]C[6]S[6])(S[5]C[5,6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6]S[6])(S[5]C[5,6a]OO){1|C<4>,2|H<1>,3|C<3>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1
474	286	976	0:SP3_SP2_SP3	C[5,6]	S[6]	O[5]	3:2:2:2:	4:4:	3:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]S[6]2)	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2{3|C<4>,4|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]S[6]2){1|O<1>,2|H<1>,4|C<4>}	109.8505	1.126	2	109.8505	1.269	2	109.8505	1.269	2	109.8238	0.585	4	110.0670	0.735	5	110.0670	0.735	5
474	286	976	0:SP3_SP2_SP3	C[5,6]	S[6]	O[5]	3:2:2:2:	4:4:	3:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6]2)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6]2){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.7970	0.696	2	109.7970	0.484	2	109.7970	0.484	2	109.8238	0.585	4	110.0670	0.735	5	110.0670	0.735	5
474	286	976	0:SP3_SP2_SP3	C[5,6]	S[6]	O[5]	4:3:2:2:	4:4:	4:2:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	110.0670	0.735	5	110.0670	0.735	5
474	286	976	0:SP3_SP3_SP3	C[5,6]	S[6]	O[5]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,3|C<3>}	110.4395	0.390	2	110.4395	0.152	2	110.4395	0.152	2	110.4395	0.152	2	111.0753	1.289	3	111.0753	1.289	3
474	286	976	0:SP3_SP3_SP3	C[5,6]	S[6]	O[5]	4:3:2:2:	4:4:	4:3:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[6a]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	111.0753	1.289	3	111.0753	1.289	3
474	286	976	6:SP3_SP2_SP3	C[5,6]	S[6]	O[5,6]	2:2:4:3:	3:4:	4:4:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C){1|O<2>,2|C<3>,3|H<1>}	109.5280	0.290	2	109.5280	0.084	2	109.5280	0.084	2	109.5280	0.084	2	109.5280	0.084	2	109.5280	0.084	2
474	310	474	0:SP3_SP3_SP3	C[5]	Ge	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5]-4:C[5]-4:Ge-4:H-1:	C[5]-4:N-3:Cl-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)2(GeClHN)(H)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(GeClHN)(H){4|H<1>}	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	115.0585	10.486	2	115.0585	109.950	2	115.0585	109.950	2	115.0585	109.950	2	115.0585	109.950	2	115.0585	109.950	2
474	310	490	0:SP3_SP3_SP3	C[5]	Ge	C	3:3:4:4:	4:4:4:4:	4:1:1:1:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	Ge(C[5]C[5,6a]2C)2(CH3)2	C(C[5]C[5,6a]2Ge)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2C)2(CH3)2	C(C[5]C[5,6a]2Ge)(H)3	109.1620	3.186	2	109.1620	10.152	2	109.1620	10.152	2	109.1620	10.152	2	109.1620	10.152	2	109.1620	10.152	2
474	310	727	0:SP3_SP2_SP3	C[5]	Ge	C[5,6a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H)	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5370	0.618	2	117.5370	0.382	2	117.5370	0.382	2	117.5370	0.382	2	111.8761	17.843	10	111.8761	17.843	10
474	310	727	0:SP3_SP2_SP3	C[5]	Ge	C[5,6a]	3:3:4:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H)	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.1180	0.052	2	115.1180	0.003	2	115.1180	0.003	2	115.1180	0.003	2	111.8761	17.843	10	111.8761	17.843	10
474	310	727	0:SP3_SP2_SP3	C[5]	Ge	C[5,6a]	3:3:4:4:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	Ge(C[5]C[5,6a]2C)2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2C)2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.5763	2.373	4	109.5763	5.632	4	109.5763	5.632	4	108.9085	4.451	6	111.8761	17.843	10	111.8761	17.843	10
474	310	727	0:SP3_SP2_SP3	C[5]	Ge	C[5,6a]	3:3:4:4:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:Si-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3)	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.5730	0.078	2	107.5730	0.006	2	107.5730	0.006	2	108.9085	4.451	6	111.8761	17.843	10	111.8761	17.843	10
474	310	880	0:SP3_SP3_SP3	C[5]	Ge	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:Ge-4:Si-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3)	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	Si(C[5]C[5,6a]2Ge)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	Si(C[5]C[5,6a]2Ge)(CH3)3	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1
474	310	951	0:SP3_SP-NON_SP3	C[5]	Ge	H	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H)	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	H(C[5]C[5,6a]2Ge)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	H(C[5]C[5,6a]2Ge)	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	107.3270	0.878	3	107.3270	0.878	3
474	310	951	0:SP3_SP-NON_SP3	C[5]	Ge	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H)	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	H(C[5]C[5,6a]2Ge)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H){2|H<1>,4|C<3>}	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	H(C[5]C[5,6a]2Ge)	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	107.3270	0.878	3	107.3270	0.878	3
474	310	951	0:SP3_SP-NON_SP3	C[5]	Ge	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:Ge-4:H-1:	C[5]-4:N-3:Cl-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(GeClHN)(H)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	H(C[5]C[5]2Ge)	C[5](C[5]C[5]HH)2(GeClHN)(H){4|H<1>}	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	H(C[5]C[5]2Ge)	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.3270	0.878	3	107.3270	0.878	3
474	334	334	5:SP3_SP1_SP1	C[5,5]	C[5]	C[5]	2:2:2:2:	4:2:	4:2:	C[5]-2:C[5]-2:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-2:	C[5,5]-4:C[5]-2:	C[5,5](C[5]C[5])2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5])	C[5](C[5,5]C[5]O[5]2)(C[5]C[5])	C[5,5](C[5]C[5])2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]){2|C<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]){2|C<2>}	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
474	334	466	0:SP3_SP1_SP3	C[5,6]	C[5]	C[6]	4:4:4:2:	4:3:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-2:	C[5,6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5]){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,6|H<1>}	108.8085	2.184	2	108.8085	4.771	2	108.8085	4.771	2	108.8085	4.771	2	108.8085	4.771	2	108.8085	4.771	2
474	334	474	0:SP3_SP1_SP3	C[5,5,6]	C[5]	C[5,5,6]	4:4:2:1:	4:3:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-2:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H){2|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H){3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1
474	334	474	5:SP3_SP1_SP3	C[5,5,6]	C[5,6]	C[5,5]	4:4:2:1:	4:3:	4:4:1:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|Cr<9>,1|C<4>,3|C<3>,3|H<1>}	100.6210	0.000	1	100.6210	0.000	1	100.6210	0.000	1	100.6210	0.000	1	100.6210	0.000	1	104.0530	4.004	5
474	334	474	5:SP3_SP1_SP3	C[5,5,6]	C[5]	C[5,5,6]	4:4:2:1:	4:3:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-2:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H){2|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H){3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,4|H<1>}	104.0380	0.000	1	104.0380	0.000	1	104.0380	0.000	1	104.0380	0.000	1	104.0380	0.000	1	104.0530	4.004	5
474	334	474	5:SP3_SP1_SP3	C[5,6]	C[5]	C[5]	4:4:4:2:	4:3:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-2:	C[5,6]-4:N[5]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5]){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	105.4840	0.000	1	105.4840	0.000	1	105.4840	0.000	1	105.4840	0.000	1	105.4840	0.000	1	104.0530	4.004	5
474	334	474	5:SP3_SP1_SP3	C[5]	C[5]	C[5]	4:2:1:1:	4:3:	4:4:1:1:	C[5]-4:C[5]-2:H-1:H-1:	C[5]-4:O[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5])(H)2{1|Mg<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg){4|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>}	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	105.0610	0.156	2	104.0530	4.004	5
474	334	474	5:SP3_SP1_SP3	C[5]	C[5]	C[5]	4:2:4:1:	4:4:	4:3:1:1:	C[5]-4:C[5]-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H){1|C<1>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2{1|C<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	105.3400	0.000	1	105.3400	0.000	1	105.3400	0.000	1	105.3400	0.000	1	105.0610	0.156	2	104.0530	4.004	5
474	334	474	6:SP3_SP1_SP3	C[5,5,6]	C[5,6]	C[5,5,6]	4:4:2:1:	4:3:	4:4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1
474	334	478	5:SP3_SP1_SP3	C[5]	C[5]	C[4,5]	4:2:1:1:	4:4:	5:4:2:1:	C[4,5]-4:C[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,4,5]-5:C[5]-4:H[4]-2:H-1:	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH)	C[4,5](C[3,4,5]C[3,5]H[3]H[4]H)(C[5]C[5]HH)(H[4]H[4])(H)	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2{1|C<3>,1|H<1>,2|H<2>}	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH){2|H<1>,2|H<2>}	C[4,5](C[3,4,5]C[3,5]H[3]H[4]H)(C[5]C[5]HH)(H[4]H[4])(H){1|C<3>}	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1
474	334	486	6:SP3_SP1_SP3	C[5,5,6]	C[5,6]	C[3,5,6]	4:2:2:4:	4:2:	4:4:3:3:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-2:	C[3,5,6]-4:C[5,5,6]-4:C[3]-3:C-3:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6])	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CC[6a]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]){2|C<3>,2|C<4>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CC[6a]O){1|C<2>,1|C<4>}	104.8630	0.000	1	104.8630	0.000	1	104.8630	0.000	1	104.8630	0.000	1	104.8930	0.002	2	104.8930	0.002	2
474	334	486	6:SP3_SP1_SP3	C[5,5,6]	C[5,6]	C[3,5,6]	4:2:2:4:	4:2:	4:4:3:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-2:	C[3,5,6]-4:C[5,5,6]-4:C[3]-3:C-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6])	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CF3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<4>,2|C<3>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]){1|C<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CF3){1|C<2>,1|C<4>}	104.9230	0.000	1	104.9230	0.000	1	104.9230	0.000	1	104.9230	0.000	1	104.8930	0.002	2	104.8930	0.002	2
474	334	490	0:SP3_SP1_SP3	C[5,5,6]	C[5,6]	C	4:2:2:4:	4:2:	4:1:1:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-2:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6])	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]){2|C<3>,2|C<4>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	118.9220	0.000	1	119.2475	0.212	2	119.2475	0.212	2	119.2475	0.212	2	119.2475	0.212	2	113.4506	47.826	5
474	334	490	0:SP3_SP1_SP3	C[5,5,6]	C[5,6]	C	4:2:2:4:	4:2:	4:1:1:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-2:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6])	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<4>,2|C<3>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]){1|C<3>,3|C<4>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	119.5730	0.000	1	119.2475	0.212	2	119.2475	0.212	2	119.2475	0.212	2	119.2475	0.212	2	113.4506	47.826	5
474	334	490	0:SP3_SP1_SP3	C[5]	C[5]	C	3:2:4:1:	4:2:	4:4:4:1:	N[5]-3:C[5]-2:C-4:H-1:	C[5]-4:O[5]-2:	C[5]-4:C-4:C-4:H-1:	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]P[5])	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H){1|B<4>,1|C<3>}	C[5](C[5]N[5]CH)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	109.5860	39.540	3	113.4506	47.826	5
474	334	490	0:SP3_SP1_SP3	C[5]	C[5]	C	3:2:4:1:	4:4:	4:1:1:1:	C[5]-3:C[5]-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)2	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2{1|C<1>,2|H<1>}	C(C[5]C[5]2H)(H)3	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	109.5860	39.540	3	113.4506	47.826	5
474	334	490	0:SP3_SP1_SP3	C[5]	C[5]	C	4:2:4:1:	4:4:	4:4:1:1:	C[5]-4:C[5]-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5]-4:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)2	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H){1|C<1>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2{1|C<1>,2|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	102.9370	0.000	1	102.9370	0.000	1	102.9370	0.000	1	102.9370	0.000	1	109.5860	39.540	3	113.4506	47.826	5
474	334	542	5:SP3_SP1_SP2	C[5]	C[5]	N[5]	3:2:4:1:	4:2:	4:4:4:	N[5]-3:C[5]-2:C-4:H-1:	C[5]-4:O[5]-2:	P[5]-4:C[5]-4:C-4:	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]P[5])	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H){1|B<4>,1|C<3>}	C[5](C[5]N[5]CH)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>}	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH){2|C<3>}	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1
474	334	818	5:SP3_SP1_SP2	C[5]	C[5]	C[5]	3:2:4:1:	4:4:	4:4:1:	C[5]-3:C[5]-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:C-1:	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C)	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2{1|C<1>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C){1|C<4>,1|H<1>}	104.2490	0.000	1	104.2490	0.000	1	104.2490	0.000	1	104.2490	0.000	1	104.2490	0.000	1	104.2490	0.000	1
474	334	951	0:SP3_SP-NON_SP1	C[5,5,6]	C[5,6]	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]C[5,5]C[5,6])	114.3590	0.000	1	114.3590	0.000	1	114.3590	0.000	1	114.3590	0.000	1	114.3590	0.000	1	110.2196	5.886	9
474	334	951	0:SP3_SP-NON_SP1	C[5,5,6]	C[5]	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-2:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)	H(C[5,5,6]C[5,5,6]2C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5])(H){2|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H){3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5])	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	110.2196	5.886	9
474	334	951	0:SP3_SP-NON_SP1	C[5]	C[5]	H	3:2:4:1:	4:2:	4:	N[5]-3:C[5]-2:C-4:H-1:	C[5]-4:O[5]-2:	C[5]-4:	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H)	C[5](C[5]N[5]CH)(O[5]P[5])	H(C[5]C[5]N[5]C)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H){1|B<4>,1|C<3>}	C[5](C[5]N[5]CH)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]C)	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	109.1881	2.169	7	110.2196	5.886	9
474	334	951	0:SP3_SP-NON_SP1	C[5]	C[5]	H	3:2:4:1:	4:4:	4:	C[5]-3:C[5]-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)2	H(C[5]C[5]2C)	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)2{1|C<1>,2|H<1>}	H(C[5]C[5]2C)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1881	2.169	7	110.2196	5.886	9
474	334	951	0:SP3_SP-NON_SP1	C[5]	C[5]	H	4:2:1:1:	4:3:	4:	C[5]-4:C[5]-2:H-1:H-1:	C[5]-4:O[5]-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mg)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5])(H)2{1|Mg<6>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5]Mg){4|H<1>}	H(C[5]C[5]2H)	110.8260	0.027	2	110.8260	0.001	2	110.8260	0.001	2	110.8260	0.001	2	109.1881	2.169	7	110.2196	5.886	9
474	334	951	0:SP3_SP-NON_SP1	C[5]	C[5]	H	4:2:1:1:	4:4:	4:	C[4,5]-4:C[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2{1|C<3>,1|H<1>,2|H<2>}	C[5](C[3,5]C[3,4,5]H[3]C)(C[5]C[4,5]HH){2|H<1>,2|H<2>}	H(C[5]C[4,5]C[5]H)	109.5095	0.030	2	109.5095	0.001	2	109.5095	0.001	2	109.5095	0.001	2	109.1881	2.169	7	110.2196	5.886	9
474	334	951	0:SP3_SP-NON_SP1	C[5]	C[5]	H	4:2:4:1:	4:4:	4:	C[5]-4:C[5]-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)2	H(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H){1|C<1>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)2{1|C<1>,2|H<1>}	H(C[5]C[5]2C)	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	109.1881	2.169	7	110.2196	5.886	9
474	334	976	5:SP3_SP1_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:2:4:	4:2:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6])	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]){2|C<3>,2|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<4>,2|C<3>}	100.9360	0.000	1	101.0030	0.009	2	101.0030	0.009	2	101.0030	0.009	2	101.0030	0.009	2	95.5016	3671.882	4
474	334	976	5:SP3_SP1_SP3	C[5,5,6]	C[5,6]	O[5,5]	4:2:2:4:	4:2:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6])	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<4>,2|C<3>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]){1|C<3>,3|C<4>}	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<4>,2|C<3>}	101.0700	0.000	1	101.0030	0.009	2	101.0030	0.009	2	101.0030	0.009	2	101.0030	0.009	2	95.5016	3671.882	4
474	334	976	5:SP3_SP1_SP3	C[5,5]	C[5]	O[5]	2:2:2:2:	4:2:	4:2:	C[5]-2:C[5]-2:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-2:	C[5,5]-4:C[5]-2:	C[5,5](C[5]C[5])2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5])	O[5](C[5,5]C[5]2O[5])(C[5]C[5])	C[5,5](C[5]C[5])2(O[5]C[5])2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]){2|C<2>}	O[5](C[5,5]C[5]2O[5])(C[5]C[5]){2|C<2>}	90.0003	104.377	2	90.0003	10894.577	2	90.0003	10894.577	2	90.0003	10894.577	2	90.0003	10894.577	2	95.5016	3671.882	4
474	362	474	0:SP3_SP3_SPD6	C[5]	C[5x3,5x5,20x6]	C[5]	6:4:2:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:O[5]-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]O[5]H)	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|B<6>,8|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]O[5]H){1|B<6>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	116.2135	0.719	2	116.2135	0.517	2	116.2135	0.517	2	116.2135	0.517	2	115.3342	1.548	4	115.3342	1.548	4
474	362	474	0:SP3_SP3_SPD6	C[5]	C[5x3,5x5,20x6]	C[5]	6:4:4:2:	6:6:6:6:6:4:	4:3:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C[5]-4:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5,6a]-3:H-1:H-1:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2O)	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH){2|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2O){1|B<6>,2|C<3>,9|H<1>}	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	114.4550	1.017	2	114.4550	1.034	2	114.4550	1.034	2	114.4550	1.034	2	115.3342	1.548	4	115.3342	1.548	4
474	362	474	5:SP3_SP3_SPD6	C[3x5,6]	C[5x3,6x5,21x6]	C[4x5]	6:4:4:1:	6:6:6:6:6:4:	4:4:4:1:	C[5x3,6x5,21x6]-6:C[3,5,5,6]-4:C[4x5]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3x5,6]-4:	C[3x5,6]-4:C[3x5,6]-4:C[5,5]-4:H-1:	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3x5,6]C[3,5,5,6]C[4x5]H)	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H)	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H){5|B<6>,9|H<1>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3x5,6]C[3,5,5,6]C[4x5]H){1|B<6>,3|C<4>,8|H<1>}	C[4x5](C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]H)2(C[5,5]C[3,5,5]HH)(H){3|H<1>,6|B<6>}	105.0525	0.180	4	105.0525	0.032	4	105.0525	0.032	4	105.0525	0.032	4	105.0525	0.032	4	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5,5,6,6]	C[5x3,6x5,21x6]	C[5,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	6:4:4:1:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H){1|C<6>,7|H<1>,9|B<6>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H){1|B<6>,1|C<6>,3|C<4>,7|H<1>}	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	101.7390	0.000	1	101.7390	0.000	1	102.0845	0.239	2	102.0845	0.239	2	102.0845	0.239	2	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5,5,6,6]	C[5x3,6x5,21x6]	C[5,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	6:4:4:1:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H){1|C<4>,1|C<6>,6|H<1>,9|B<6>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H){1|B<6>,1|C<6>,2|C<4>,8|H<1>}	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	102.4300	0.000	1	102.4300	0.000	1	102.0845	0.239	2	102.0845	0.239	2	102.0845	0.239	2	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5,5]	C[5x3,6x5,20x6]	C[5,5]	6:4:4:2:	6:6:6:6:6:4:	4:2:3:1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C[5]-4:S[5]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5]-4:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5])	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4S[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5]C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H)	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5]){3|C<4>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4S[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5]C[5,5]C[5]S[5]){1|Fe<10>,1|B<6>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5,5]C[5x3,6x5,20x6]C[5]S[5])(S[5]C[5x3,6x5,20x6])(C[5]C[5]H)(H){1|Fe<10>,3|C<4>,6|B<6>}	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,4x5,11x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH)	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH){1|B<6>,1|S<3>,7|H<1>}	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2{1|Ir<9>,5|B<6>}	105.5660	0.000	1	105.3990	0.056	2	105.3990	0.056	2	105.3990	0.056	2	105.3990	0.056	2	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,4x5,11x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH)	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH){1|B<6>,8|H<1>}	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2{1|Ir<9>,5|B<6>}	105.2320	0.000	1	105.3990	0.056	2	105.3990	0.056	2	105.3990	0.056	2	105.3990	0.056	2	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	3:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	4:3:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,1|C<3>,7|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4B[5a])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]HH)	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|B<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4B[5a])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]HH){1|B<6>,2|N<3>,9|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2{6|B<6>}	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	106.6520	0.713	2	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<3>,1|B<6>,8|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2{6|B<6>}	106.0550	0.000	1	106.0550	0.000	1	106.0550	0.000	1	106.6520	0.713	2	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	4:4:3:1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	106.4460	0.000	1	106.4460	0.000	1	106.5883	0.097	3	106.5883	0.097	3	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:1:1:	6:6:6:6:6:4:	4:4:3:1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,1|C<3>,8|H<1>}	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	106.6595	0.405	2	106.6595	0.164	2	106.5883	0.097	3	106.5883	0.097	3	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:3:1:	6:6:6:6:6:4:	4:4:3:1:	C[5x3,6x5,20x6]-6:C[5]-4:N-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:C-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5]C[5]HN)	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H){1|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5]C[5]HN){1|B<6>,1|C<3>,8|H<1>}	C[5](C[5]B[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]HN)(CCO)(H){1|C<6>,5|B<6>}	104.0970	0.000	1	104.0970	0.000	1	104.0970	0.000	1	104.0970	0.000	1	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:4:1:	6:6:6:6:6:4:	3:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	105.3683	0.259	3	105.3683	0.067	3	105.3683	0.067	3	105.3683	0.067	3	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:4:1:	6:6:6:6:6:4:	4:3:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,7|H<1>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	104.6470	0.159	4	104.6470	0.025	4	104.7722	0.097	5	104.7722	0.097	5	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:4:1:	6:6:6:6:6:4:	4:3:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|O<1>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|O<1>,7|H<1>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2{6|B<6>}	105.2730	0.000	1	105.2730	0.000	1	104.7722	0.097	5	104.7722	0.097	5	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:4:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	P[5]-4:C[5]-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H){1|C<3>,1|O<1>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,1|O<1>,7|H<1>}	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2{2|C<3>,6|B<6>}	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	105.8552	1.642	18	105.5432	2.601	27
474	362	474	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:4:4:1:	6:6:6:6:6:4:	4:4:3:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,8|H<1>}	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	105.8552	1.642	18	105.5432	2.601	27
474	362	474	6:SP3_SP3_SPD6	C[5,5,6,6]	C[5x3,5x5,22x6]	C[5,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	6:4:4:1:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,22x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[3,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[5,5,6,6]2H)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[3,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[5,5,6,6]2H){1|B<6>,2|C<4>,2|C<6>,8|H<1>}	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H){1|C<6>,7|H<1>,9|B<6>}	116.8930	0.000	1	116.8930	0.000	1	115.9830	1.656	2	115.9830	1.656	2	115.9830	1.656	2	115.9830	1.656	2
474	362	474	6:SP3_SP3_SPD6	C[5,5,6,6]	C[5x3,5x5,22x6]	C[5,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	6:4:4:1:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,22x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[3,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[5,5,6,6]2H)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[3,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[5,5,6,6]2H){1|B<6>,2|C<4>,2|C<6>,8|H<1>}	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H){1|C<4>,1|C<6>,6|H<1>,9|B<6>}	115.0730	0.000	1	115.0730	0.000	1	115.9830	1.656	2	115.9830	1.656	2	115.9830	1.656	2	115.9830	1.656	2
474	362	486	6:SP3_SP3_SPD6	C[3x5,6]	C[5x3,6x5,21x6]	C[3,5,5,6]	6:4:4:1:	6:6:6:6:6:4:	4:4:4:1:	C[5x3,6x5,21x6]-6:C[3,5,5,6]-4:C[4x5]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3x5,6]-4:	C[3x5,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:H-1:	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3x5,6]C[3,5,5,6]C[4x5]H)	C[3,5,5,6](C[3x5,6]C[5x3,6x5,21x6]C[4x5]H)(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(H)	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H){5|B<6>,9|H<1>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3x5,6]C[3,5,5,6]C[4x5]H){1|B<6>,3|C<4>,8|H<1>}	C[3,5,5,6](C[3x5,6]C[5x3,6x5,21x6]C[4x5]H)(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(H){1|C<6>,4|B<6>,4|H<1>}	111.2085	0.035	4	111.2085	0.001	4	111.2085	0.001	4	111.2085	0.001	4	111.2085	0.001	4	110.2417	2.245	6
474	362	486	6:SP3_SP3_SPD6	C[5,5,6,6]	C[5x3,6x5,21x6]	C[3,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	4:4:4:1:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5,5,6,6]-4:C[3,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]C)(H)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H){1|C<4>,1|C<6>,6|H<1>,9|B<6>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H){1|B<6>,1|C<6>,2|C<4>,8|H<1>}	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]C)(H){2|C<6>,2|H<1>,8|B<6>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.3080	0.003	2	110.2417	2.245	6
474	362	486	6:SP3_SP3_SPD6	C[5,5,6,6]	C[5x3,6x5,21x6]	C[3,5,6,6]	6:4:4:1:	6:6:6:6:6:4:	4:4:4:4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5,5,6,6]-4:C[3,6,6]-4:C[3,5,6,6]-4:C-4:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(CH3)	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H){1|C<6>,7|H<1>,9|B<6>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H){1|B<6>,1|C<6>,3|C<4>,7|H<1>}	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(CH3){2|C<6>,2|H<1>,8|B<6>}	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.3080	0.003	2	110.2417	2.245	6
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,5x5,20x6]	C	6:3:3:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C)	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C){1|B<6>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CH)	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H){2|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CH){1|Ru<8>,1|B<6>,2|C<4>,5|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	114.3310	0.000	1	114.3310	0.000	1	114.3310	0.000	1	114.3310	0.000	1	113.2480	5.982	21	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,7|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	115.6238	1.214	4	115.2722	1.723	5	114.8727	2.224	7	115.2164	3.642	10	113.2480	5.982	21	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|O<1>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|O<1>,7|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	113.8660	0.000	1	115.2722	1.723	5	114.8727	2.224	7	115.2164	3.642	10	113.2480	5.982	21	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,8|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	115.2270	0.000	1	115.2270	0.000	1	114.8727	2.224	7	115.2164	3.642	10	113.2480	5.982	21	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H){1|C<3>,1|O<1>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,1|O<1>,7|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	112.5210	0.000	1	112.5210	0.000	1	114.8727	2.224	7	115.2164	3.642	10	113.2480	5.982	21	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C-4:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,2|C<3>,6|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	116.0183	2.888	3	116.0183	8.339	3	116.0183	8.339	3	115.2164	3.642	10	113.2480	5.982	21	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CC)	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2{2|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CC){1|Ru<8>,1|B<6>,2|C<4>,5|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	111.1248	0.346	8	111.1713	0.424	10	111.1713	0.424	10	111.1713	0.424	10	113.2480	5.982	21	113.2498	5.697	22
474	362	490	0:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	C	6:4:4:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CC)	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2{3|C<4>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CC){1|Ru<8>,1|B<6>,2|C<4>,5|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	111.3575	1.699	2	111.1713	0.424	10	111.1713	0.424	10	111.1713	0.424	10	113.2480	5.982	21	113.2498	5.697	22
474	362	542	0:SP3_SP2_SPD6	C[5]	C[5x3,5x5,20x6]	N[5]	6:3:3:1:	6:6:6:6:5:4:	4:3:4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-5:C[5]-4:	C[5]-4:C[5,6a]-3:Si-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H)	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H){1|Si<4>,1|B<6>,1|C<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1
474	362	643	0:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]O[5]H)	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]O[5]H){1|B<6>,3|C<3>,6|H<1>}	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	116.0915	1.132	2	116.0915	1.282	2	116.0915	1.282	2	116.0915	1.282	2	115.4027	2.064	3	115.4027	2.064	3
474	362	643	0:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	C[6a]	6:3:3:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]C[5]H)	C[6a](C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]C[5]H){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	115.4027	2.064	3	115.4027	2.064	3
474	362	727	0:SP3_SP2_SPD6	C[5]	C[5x3,5x5,20x6]	C[5,6a]	6:3:3:4:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C){1|B<6>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1
474	362	727	5:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	C[5,6a]	6:3:1:1:	6:6:6:6:6:4:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	104.3040	0.000	1	104.3040	0.000	1	104.3040	0.000	1	105.2287	1.144	3	105.2287	1.144	3	105.2287	1.144	3
474	362	727	5:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	C[5,6a]	6:3:1:1:	6:6:6:6:6:4:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|B<6>}	104.9820	0.000	1	104.9820	0.000	1	104.9820	0.000	1	105.2287	1.144	3	105.2287	1.144	3	105.2287	1.144	3
474	362	727	5:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	C[5,6a]	6:3:1:1:	6:6:6:6:6:4:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	106.4000	0.000	1	106.4000	0.000	1	106.4000	0.000	1	105.2287	1.144	3	105.2287	1.144	3	105.2287	1.144	3
474	362	762	0:SP3_SP2_SPD6	C[5,6]	C[5x3,6x5,20x6]	C[6]	6:3:3:3:	6:6:6:6:6:4:	4:3:1:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6]C[5]C[6]2)	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6]C[5]C[6]2){1|B<6>,1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H){1|C<6>,2|C<3>,2|C<4>,2|H<1>,4|B<6>}	111.5535	0.408	4	111.5535	0.166	4	111.5535	0.166	4	111.5535	0.166	4	111.5535	0.166	4	111.5535	0.166	4
474	362	818	0:SP3_SP2_SPD6	C[5]	C[5x3,5x5,20x6]	C[5]	6:3:3:1:	6:6:6:6:5:4:	4:3:4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-5:C[5]-4:	C[5]-4:C[5,6a]-3:C-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H)	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H){1|Si<4>,1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	95.6623	0.000	1	95.6623	0.000	1	95.6623	0.000	1	95.6623	0.000	1	103.0832	110.138	2	103.0832	110.138	2
474	362	818	0:SP3_SP2_SPD6	C[5]	C[5x3,5x5,20x6]	C[5]	6:3:3:4:	6:6:6:6:6:4:	4:2:4:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:N[5]-2:C-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C)	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C){1|B<6>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3){1|C<6>,2|C<3>,4|B<6>}	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	103.0832	110.138	2	103.0832	110.138	2
474	362	818	5:SP3_SP2_SPD6	C[5,6]	C[5x3,6x5,20x6]	C[5]	6:3:3:3:	6:6:6:6:6:4:	4:3:4:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,6]-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6]C[5]C[6]2)	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6]C[5]C[6]2){1|B<6>,1|C<4>,2|C<3>,8|H<1>}	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH){2|C<3>,2|H<1>,6|B<6>}	102.2055	0.122	2	102.2055	0.015	2	102.2055	0.015	2	102.2055	0.015	2	102.2055	0.015	2	103.4472	3.983	4
474	362	818	5:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	C[5,6]	6:3:1:1:	6:6:6:6:6:4:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)2(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4N[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6]HH)	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)2(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4N[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6]HH){1|B<6>,2|C<3>,5|H<1>}	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,6|B<6>}	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	103.4472	3.983	4
474	362	818	5:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	C[5]	6:3:3:1:	6:6:6:6:6:4:	4:3:1:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]C[5]H)	C[5](C[5]C[5x3,6x5,20x6]C[6a]H)(C[5]C[5x3,6x5,20x6]C)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]C[5]H){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5x3,6x5,20x6]C[6a]H)(C[5]C[5x3,6x5,20x6]C)(H){2|C<3>,6|B<6>}	102.9910	0.000	1	102.9910	0.000	1	102.9910	0.000	1	102.9910	0.000	1	102.9910	0.000	1	103.4472	3.983	4
474	362	891	0:SP3_SP2_SPD6	C[5,5]	C[5x3,6x5,20x6]	S[5]	6:4:4:2:	6:6:6:6:6:4:	4:3:	C[5x3,6x5,20x6]-6:C[5,5]-4:C[5]-4:S[5]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5]-4:	C[5,5]-4:C[5]-3:	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5])	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4S[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5]C[5,5]C[5]S[5])	S[5](C[5,5]C[5x3,6x5,20x6]C[5,5]C[5])(C[5]C[5]2)	C[5,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5]S[5]H)(C[5]C[5]2Fe)(S[5]C[5]){3|C<4>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4S[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5]C[5,5]C[5]S[5]){1|Fe<10>,1|B<6>,2|C<3>,2|C<4>,6|H<1>}	S[5](C[5,5]C[5x3,6x5,20x6]C[5,5]C[5])(C[5]C[5]2){2|Fe<10>,1|C<6>,1|S<2>,2|H<1>,4|B<6>,4|C<4>}	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1
474	362	893	0:SP3_SP3_SPD6	C[5]	C[5x3,5x5,20x6]	O	6:4:4:2:	6:6:6:6:6:4:	4:1:	C[5x3,5x5,20x6]-6:C[5]-4:C[5]-4:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:H-1:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2O)	O(C[5]C[5x3,5x5,20x6]C[5]2)(H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH){2|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2O){1|B<6>,2|C<3>,9|H<1>}	O(C[5]C[5x3,5x5,20x6]C[5]2)(H)	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1
474	362	951	0:SP3_SP-NON_SPD6	C[3x5,6]	C[5x3,6x5,21x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,21x6]-6:C[3,5,5,6]-4:C[4x5]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3x5,6]-4:	C[3x5,6]-4:	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3x5,6]C[3,5,5,6]C[4x5]H)	H(C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]C[4x5])	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H){5|B<6>,9|H<1>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[3x5,6]C[3,5,5,6]C[4x5]H){1|B<6>,3|C<4>,8|H<1>}	H(C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]C[4x5])	114.5330	0.158	4	114.5330	0.025	4	114.5330	0.025	4	114.5330	0.025	4	114.5330	0.025	4	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5,5,6,6]	C[5x3,5x5,22x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,5x5,22x6]-6:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,22x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H)	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[3,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[5,5,6,6]2H)	H(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]2)	C[5,5,6,6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]H)2(H){11|B<6>,2|C<4>,5|H<1>}	C[5x3,5x5,22x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,22x6]H)2(C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[3,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[5,5,6,6]2H){1|B<6>,2|C<4>,2|C<6>,8|H<1>}	H(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]2)	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5,5,6,6]	C[5x3,6x5,21x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H){1|C<6>,7|H<1>,9|B<6>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H){1|B<6>,1|C<6>,3|C<4>,7|H<1>}	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	114.6620	0.000	1	114.6620	0.000	1	114.6560	0.000	2	114.6560	0.000	2	114.6560	0.000	2	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5,5,6,6]	C[5x3,6x5,21x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,5,6,6]-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H)	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H){1|C<4>,1|C<6>,6|H<1>,9|B<6>}	C[5x3,6x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)2(C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5,5,6,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H){1|B<6>,1|C<6>,2|C<4>,8|H<1>}	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	114.6500	0.000	1	114.6500	0.000	1	114.6560	0.000	2	114.6560	0.000	2	114.6560	0.000	2	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,4x5,11x6]	H	6:2:1:1:	6:6:6:6:6:4:	4:	C[5x3,4x5,11x6]-6:O[5]-2:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]O[5]HH)	H(C[5]C[5x3,4x5,11x6]O[5]H)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]O[5]HH){1|B<6>,6|H<1>}	H(C[5]C[5x3,4x5,11x6]O[5]H)	110.2915	0.021	2	110.2915	0.000	2	110.2915	0.000	2	110.2915	0.000	2	110.5408	0.039	6	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,4x5,11x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH)	H(C[5]C[5x3,4x5,11x6]C[5]H)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH){1|B<6>,1|S<3>,7|H<1>}	H(C[5]C[5x3,4x5,11x6]C[5]H)	110.6205	0.021	2	110.6655	0.003	4	110.6655	0.003	4	110.6655	0.003	4	110.5408	0.039	6	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,4x5,11x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH)	H(C[5]C[5x3,4x5,11x6]C[5]H)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]C[5]HH){1|B<6>,8|H<1>}	H(C[5]C[5x3,4x5,11x6]C[5]H)	110.7105	0.019	2	110.6655	0.003	4	110.6655	0.003	4	110.6655	0.003	4	110.5408	0.039	6	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,5x5,20x6]	H	6:3:3:1:	6:6:6:6:5:4:	4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-5:C[5]-4:	C[5]-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H)	H(C[5]C[5x3,5x5,20x6]C[5]N[5])	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H){1|Si<4>,1|B<6>,1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5x3,5x5,20x6]C[5]N[5])	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	109.3550	6.381	3	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,5x5,20x6]	H	6:4:2:1:	6:6:6:6:6:4:	4:	C[5x3,5x5,20x6]-6:C[5]-4:O[5]-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]O[5]H)	H(C[5]C[5x3,5x5,20x6]C[5]O[5])	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|B<6>,8|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]O[5]H){1|B<6>,1|O<2>,3|C<4>,8|H<1>}	H(C[5]C[5x3,5x5,20x6]C[5]O[5])	107.9255	0.708	2	107.9255	0.501	2	107.9255	0.501	2	107.9255	0.501	2	109.3550	6.381	3	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:3:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5,6]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)2(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4N[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6]HH)	H(C[5]C[5x3,6x5,20x6]C[5,6]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)2(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4N[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6]HH){1|B<6>,2|C<3>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,6]H)	111.9025	0.892	2	111.9025	0.795	2	111.9025	0.795	2	111.0031	0.534	7	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:3:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	111.0031	0.534	7	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:3:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6a]HH)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	110.7255	0.028	2	110.7255	0.001	2	110.7255	0.001	2	111.0031	0.534	7	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:3:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	110.4475	0.018	2	110.4475	0.000	2	110.4475	0.000	2	111.0031	0.534	7	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:3:2:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]O[5]H)	H(C[5]C[5x3,6x5,20x6]C[6a]O[5])	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]O[5]H){1|B<6>,3|C<3>,6|H<1>}	H(C[5]C[5x3,6x5,20x6]C[6a]O[5])	108.8420	0.361	2	108.8420	0.130	2	108.8420	0.130	2	108.8420	0.130	2	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:3:3:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[6a]C[5])	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]C[5]H){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5x3,6x5,20x6]C[6a]C[5])	107.6350	0.000	1	107.6350	0.000	1	107.6350	0.000	1	107.6350	0.000	1	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4B[5a])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]HH)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|B<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4B[5a])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]HH){1|B<6>,2|N<3>,9|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.2450	0.021	2	110.2450	0.000	2	110.2450	0.000	2	110.3731	0.010	14	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,1|C<3>,7|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.2395	0.032	2	110.3460	0.017	4	110.3840	0.010	10	110.3731	0.010	14	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<3>,1|B<6>,8|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.4525	0.077	2	110.3460	0.017	4	110.3840	0.010	10	110.3731	0.010	14	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,1|C<3>,1|C<4>,7|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.4345	0.029	2	110.4093	0.005	6	110.3840	0.010	10	110.3731	0.010	14	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,1|C<3>,8|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.3967	0.085	4	110.4093	0.005	6	110.3840	0.010	10	110.3731	0.010	14	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]HH){1|B<6>,2|C<3>,6|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	110.4470	0.045	2	110.4470	0.002	2	110.4470	0.002	2	110.3731	0.010	14	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:3:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:N-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5]C[5]HN)	H(C[5]C[5x3,6x5,20x6]C[5]N)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H){1|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5]C[5]HN){1|B<6>,1|C<3>,8|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]N)	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CH)	H(C[5]C[5x3,6x5,20x6]C[5,5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H){2|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5,5]CH){1|Ru<8>,1|B<6>,2|C<4>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,5]C)	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	107.4700	1.769	11	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,7|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	107.6815	0.316	4	107.7464	0.096	5	107.8113	0.085	7	107.4700	1.769	11	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|O<1>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|O<1>,7|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	108.0060	0.000	1	107.7464	0.096	5	107.8113	0.085	7	107.4700	1.769	11	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,8|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	108.1350	0.000	1	108.1350	0.000	1	107.8113	0.085	7	107.4700	1.769	11	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H){1|C<3>,1|O<1>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,1|O<1>,7|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	107.8120	0.000	1	107.8120	0.000	1	107.8113	0.085	7	107.4700	1.769	11	109.4005	2.790	36	110.1368	4.925	52
474	362	951	0:SP3_SP-NON_SPD6	C[5]	C[5x3,6x5,20x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	H(C[5]C[5x3,6x5,20x6]C[5]C)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,2|C<3>,6|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]C)	106.1983	2.178	3	106.1983	4.742	3	106.1983	4.742	3	107.4700	1.769	11	109.4005	2.790	36	110.1368	4.925	52
474	362	956	0:SP3_SP2_SPD6	C[5]	C[5x3,6x5,20x6]	N	6:4:3:1:	6:6:6:6:6:4:	4:3:1:	C[5x3,6x5,20x6]-6:C[5]-4:N-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5]C[5]HN)	N(C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5]C[5]CH)(NC[6a]H)(H){1|C<4>,5|B<6>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5]C[5]HN){1|B<6>,1|C<3>,8|H<1>}	N(C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]2)(H)	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1
474	362	976	0:SP3_SP3_SPD6	C[5]	C[5x3,5x5,20x6]	O[5]	6:4:2:1:	6:6:6:6:6:4:	4:4:	C[5x3,5x5,20x6]-6:C[5]-4:O[5]-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]O[5]H)	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|B<6>,8|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]O[5]H){1|B<6>,1|O<2>,3|C<4>,8|H<1>}	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH){1|C<6>,4|B<6>,4|H<1>}	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1
474	362	976	5:SP3_SP3_SPD6	C[5]	C[5x3,4x5,11x6]	O[5]	6:2:1:1:	6:6:6:6:6:4:	4:4:	C[5x3,4x5,11x6]-6:O[5]-2:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-6:B[5x3,5x5,5x6]-6:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]O[5]HH)	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5x3,4x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,4x5,12x6]IrH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5]Ir)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[5]O[5]HH){1|B<6>,6|H<1>}	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH){1|Ir<9>,5|B<6>}	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	105.0987	3.465	3
474	362	976	5:SP3_SP3_SPD6	C[5]	C[5x3,6x5,20x6]	O[5]	6:3:2:1:	6:6:6:6:6:4:	4:4:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]O[5]H)	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[6a]O[5]H){1|B<6>,3|C<3>,6|H<1>}	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2{4|C<3>,6|B<6>}	104.0560	0.638	2	104.0560	0.407	2	104.0560	0.407	2	104.0560	0.407	2	104.0560	0.407	2	105.0987	3.465	3
474	366	490	0:SP3_SP3_SPD5	C[5]	P[3]	C	5:2:3:4:	4:2:2:1:1:	3:4:1:1:	P[3]-5:O[5]-2:C[5]-3:C-4:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1
474	366	818	0:SP3_SP2_SPD5	C[5]	P[3]	C[5]	5:2:3:4:	4:2:2:1:1:	4:2:1:	P[3]-5:O[5]-2:C[5]-3:C-4:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	C[5]-4:O[5]-2:O-1:	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O)	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O){1|H<2>,2|O<1>,3|O<2>}	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1
474	366	976	0:SP3_SP3_SPD5	C[5]	P[3]	O[5]	5:2:3:4:	4:2:2:1:1:	4:4:	P[3]-5:O[5]-2:C[5]-3:C-4:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	C[5]-4:B[5,5]-4:	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3)	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3){1|C<3>,1|C<4>,1|H<2>,1|O<2>,3|O<1>}	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1
474	394	490	0:SP3_SP3_SPD5	C[5,6]	P[3x5,6]	C	5:2:4:4:	4:2:2:2:2:	4:1:1:1:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6]-4:F-1:F-1:F-1:	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	114.6275	1.757	2	114.0547	2.336	4	114.0547	2.336	4	114.0547	2.336	4	114.0547	2.336	4	114.0547	2.336	4
474	394	490	0:SP3_SP3_SPD5	C[5,6]	P[3x5,6]	C	5:2:4:4:	4:2:2:2:2:	4:1:1:1:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6]-4:F-1:F-1:F-1:	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	113.4820	1.615	2	114.0547	2.336	4	114.0547	2.336	4	114.0547	2.336	4	114.0547	2.336	4	114.0547	2.336	4
474	394	727	5:SP3_SP2_SPD5	C[3x5]	P[3x5]	C[5,6a]	3:3:3:5:	4:2:2:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[3x5]-5:	C[3x5]-4:O[5]-2:O[5]-2:O[5]-2:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])3(P[3x5]O[5]3H)	P[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(H)	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])3(P[3x5]O[5]3H){3|H<1>,6|C<3>}	P[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(H){6|C<3>}	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	104.4038	0.172	6	104.4038	0.030	6	104.4038	0.030	6	104.4038	0.030	6	104.4038	0.030	6	104.4038	0.030	6
474	394	976	6:SP3_SP3_SPD5	C[5,6]	P[3x5,6]	O[5,6]	5:2:4:4:	4:2:2:2:2:	4:4:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC)	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC){1|H<1>,3|C<3>,3|O<2>}	102.6500	0.000	1	102.6270	0.001	2	102.6270	0.001	2	102.6270	0.001	2	102.6270	0.001	2	102.6270	0.001	2
474	394	976	6:SP3_SP3_SPD5	C[5,6]	P[3x5,6]	O[5,6]	5:2:4:4:	4:2:2:2:2:	4:4:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC)	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC){1|H<1>,3|C<3>,3|O<2>}	102.6040	0.000	1	102.6270	0.001	2	102.6270	0.001	2	102.6270	0.001	2	102.6270	0.001	2	102.6270	0.001	2
474	402	474	5:SP3_SP3_SPD6	C[5]	Ge[3x5]	C[5]	6:4:4:1:	3:3:2:2:4:2:	4:3:1:1:	Ge[3x5]-6:C[5]-4:C-4:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H)	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5])	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H){1|O<1>,6|C<3>}	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2{2|N<3>,2|O<2>}	103.5620	0.000	1	103.5620	0.000	1	103.5620	0.000	1	103.5620	0.000	1	103.5620	0.000	1	103.5620	0.000	1
474	402	490	0:SP3_SP3_SPD6	C[5]	Ge[3x5]	C	6:4:4:1:	3:3:2:2:4:2:	4:1:1:1:	Ge[3x5]-6:C[5]-4:C-4:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C[5]-4:O[5]-2:	C[5]-4:H-1:H-1:H-1:	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H)	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5])	C(C[5]Ge[3x5]C[5]H)(H)3	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H){1|O<1>,6|C<3>}	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,6|C<3>}	C(C[5]Ge[3x5]C[5]H)(H)3	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1
474	402	951	0:SP3_SP-NON_SPD6	C[5]	Ge[3x5]	H	6:4:4:1:	3:3:2:2:4:2:	4:	Ge[3x5]-6:C[5]-4:C-4:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C[5]-4:O[5]-2:	C[5]-4:	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H)	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5])	H(C[5]Ge[3x5]C[5]C)	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H){1|O<1>,6|C<3>}	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,6|C<3>}	H(C[5]Ge[3x5]C[5]C)	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	111.8882	4.202	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3)	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	111.8882	4.202	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:3:	4:4:3:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	113.2800	0.000	1	113.2800	0.000	1	113.2800	0.000	1	113.2800	0.000	1	111.8882	4.202	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	110.7434	0.720	5	111.8882	4.202	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	111.0632	0.528	4	111.0632	0.278	4	111.0632	0.278	4	110.7434	0.720	5	111.8882	4.202	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6]	4:4:2:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H)	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H){4|H<1>,5|C<4>}	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	108.7837	3.052	10	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6]	4:4:4:4:	4:3:4:2:	4:4:1:1:	C[6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	108.7837	3.052	10	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{4|H<1>,7|C<4>}	107.2820	0.776	3	107.2820	0.602	3	107.2820	0.602	3	108.6998	4.070	5	108.7837	3.052	10	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,4|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	110.8265	0.022	2	110.8265	0.000	2	110.8265	0.000	2	108.6998	4.070	5	108.7837	3.052	10	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.6370	0.061	2	107.6370	0.004	2	107.6370	0.004	2	107.6370	0.004	2	108.7837	3.052	10	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|O<2>,4|H<1>,6|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	108.7837	3.052	10	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[3x6]	4:4:4:3:	4:3:3:1:	4:3:3:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	117.1695	0.885	2	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[3x6]	4:4:4:3:	4:3:3:1:	4:3:3:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	117.0710	0.327	2	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[3x6]	4:4:4:3:	4:3:3:1:	4:3:3:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	116.6390	0.895	2	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[3x6]	4:4:4:3:	4:3:3:1:	4:3:3:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	116.9525	0.173	2	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	116.9580	0.291	8	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[6]	4:4:2:4:	4:3:4:1:	4:4:1:1:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	115.2140	0.923	2	115.1463	0.374	4	115.1463	0.374	4	115.1463	0.374	4	115.1463	0.374	4	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[6]	4:4:2:4:	4:3:4:1:	4:4:1:1:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	115.0785	0.501	2	115.1463	0.374	4	115.1463	0.374	4	115.1463	0.374	4	115.1463	0.374	4	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2{5|C<4>,5|H<1>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2{5|H<1>,6|C<4>}	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	108.1000	0.000	1	108.1000	0.000	1	108.1000	0.000	1	108.1000	0.000	1	108.1000	0.000	1	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2{4|H<1>,6|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2{6|H<1>,7|C<4>}	112.2180	0.148	2	112.2180	0.022	2	112.3624	0.678	5	112.3624	0.678	5	112.3624	0.678	5	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2{2|I<1>,4|C<4>,4|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	111.1610	0.000	1	112.4587	1.311	3	112.3624	0.678	5	112.3624	0.678	5	112.3624	0.678	5	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2{4|C<4>,6|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	113.1075	0.310	2	112.4587	1.311	3	112.3624	0.678	5	112.3624	0.678	5	112.3624	0.678	5	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	112.7620	0.741	2	112.7620	0.549	2	112.7620	0.549	2	112.7620	0.549	2	112.8190	2.018	5	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){5|C<4>,5|H<1>}	113.9760	0.000	2	113.9760	0.000	2	113.9760	0.000	2	113.9760	0.000	2	112.8190	2.018	5	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	112.8190	2.018	5	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	115.0665	0.462	2	115.0665	0.213	2	115.0150	0.115	3	115.0150	0.115	3	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	114.9120	0.000	1	114.9120	0.000	1	115.0150	0.115	3	115.0150	0.115	3	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:3:2:4:	4:3:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[3,5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[3,5,6,6]C[5,5,6]C[3,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,7|C<4>}	115.2170	0.356	3	115.2170	0.126	3	115.2170	0.126	3	115.2587	0.091	4	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){5|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,6|C<4>}	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	115.2587	0.091	4	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:3:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	109.3230	0.000	1	109.3230	0.000	1	110.5806	1.299	5	110.5806	1.299	5	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:3:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	111.7720	0.232	2	110.8950	1.074	4	110.5806	1.299	5	110.5806	1.299	5	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:3:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	110.0180	0.301	2	110.8950	1.074	4	110.5806	1.299	5	110.5806	1.299	5	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:3:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	113.1088	5.469	15	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	111.9005	0.107	2	111.9005	0.011	2	112.4393	0.877	3	112.4393	0.877	3	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	113.5170	0.000	1	113.5170	0.000	1	112.4393	0.877	3	112.4393	0.877	3	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:3:4:4:	4:3:4:1:	4:4:1:1:	C[5,6,6]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	115.1295	0.622	2	115.1295	0.386	2	115.1295	0.386	2	115.1295	0.386	2	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:3:4:4:	4:4:4:1:	4:4:1:1:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2{3|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	111.2043	1.938	3	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	110.1600	0.000	1	110.1600	0.000	1	110.4140	0.129	2	111.2043	1.938	3	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2{2|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	110.6680	0.000	1	110.6680	0.000	1	110.4140	0.129	2	111.2043	1.938	3	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,4|C<4>,4|H<1>}	113.2200	0.000	1	113.2200	0.000	1	113.8978	3.108	4	113.8978	3.108	4	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	111.7450	0.000	1	111.7450	0.000	1	113.8978	3.108	4	113.8978	3.108	4	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|O<2>,4|C<4>}	115.3130	0.474	2	115.3130	0.224	2	113.8978	3.108	4	113.8978	3.108	4	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.3627	0.669	3	114.2482	0.351	4	114.2482	0.351	4	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	113.9050	0.000	1	114.2482	0.351	4	114.2482	0.351	4	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,8|H<1>}	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	109.2850	0.541	4	109.1316	0.337	5	109.6020	1.597	6	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	108.5180	0.000	1	109.1316	0.337	5	109.6020	1.597	6	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	111.9540	0.000	1	111.9540	0.000	1	109.6020	1.597	6	111.7324	5.667	14	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	114.5340	0.000	1	114.5340	0.000	1	114.5340	0.000	1	114.5340	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:2:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:2:4:	4:4:2:1:	4:3:1:1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:3:2:2:	C[5,6,6]-4:C[6]-4:C[6]-4:N[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:O-2:	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	113.9450	1.307	2	113.2823	1.315	7	112.9422	1.579	9	112.9422	1.579	9	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	113.4280	0.000	1	113.2823	1.315	7	112.9422	1.579	9	112.9422	1.579	9	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	113.7595	0.254	2	113.2823	1.315	7	112.9422	1.579	9	112.9422	1.579	9	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	111.1150	0.000	1	113.2823	1.315	7	112.9422	1.579	9	112.9422	1.579	9	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	113.0240	0.000	1	113.2823	1.315	7	112.9422	1.579	9	112.9422	1.579	9	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	111.7520	1.047	2	111.7520	1.095	2	112.9422	1.579	9	112.9422	1.579	9	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	112.8850	0.000	1	112.8850	0.000	1	112.8850	0.000	1	112.8850	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:2:1:1:	4:4:2:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:2:4:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	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>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2{1|C<3>,2|H<1>,3|O<2>,5|C<4>}	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:3:2:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	109.1530	0.489	2	109.1530	0.239	2	109.1530	0.239	2	109.1530	0.239	2	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	110.8760	0.637	4	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	110.8760	0.637	4	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	110.8760	0.637	4	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.8760	0.637	4	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	111.3354	0.555	10	111.3354	0.308	10	111.3591	0.283	11	110.9828	1.957	12	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	111.5960	0.000	1	111.5960	0.000	1	111.3591	0.283	11	110.9828	1.957	12	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,5|H<1>}	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	110.9828	1.957	12	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	110.2410	0.670	3	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	109.7765	0.213	2	109.7765	0.045	2	109.7765	0.045	2	110.2410	0.670	3	111.5838	4.374	71	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<2>,4|C<4>,6|H<1>}	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	112.0217	6.670	132
474	466	466	0:SP3_SP3_SP3	C[5]	C[6]	C[6]	3:4:4:3:	4:4:4:1:	4:4:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(C[5]C[5]H){2|C<3>,5|C<4>,9|H<1>}	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	112.6020	0.000	1	112.6020	0.000	1	112.6020	0.000	1	112.6020	0.000	1	112.6020	0.000	1	112.0217	6.670	132
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:3:4:	4:4:4:1:	4:3:3:1:	C[3x6]-4:C[3x6]-4:C[5,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[5,6]-4:C[3x6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[4x6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|O<2>,6|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.7385	0.483	6	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	108.0990	0.000	1	108.0990	0.000	1	108.7252	0.603	5	108.7385	0.483	6	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	107.9760	0.000	1	108.8817	0.641	4	108.7252	0.603	5	108.7385	0.483	6	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	108.4530	0.000	1	108.8817	0.641	4	108.7252	0.603	5	108.7385	0.483	6	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	109.5490	0.165	2	108.8817	0.641	4	108.7252	0.603	5	108.7385	0.483	6	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:1:	4:3:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){2|C<3>,3|C<4>,4|O<2>,9|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	107.3430	0.000	1	107.8530	0.520	2	107.8624	0.271	5	107.8624	0.271	5	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	108.3630	0.000	1	107.8530	0.520	2	107.8624	0.271	5	107.8624	0.271	5	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	107.8900	0.750	2	107.8900	0.562	2	107.8624	0.271	5	107.8624	0.271	5	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|O<2>,8|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	107.8260	0.000	1	107.8260	0.000	1	107.8624	0.271	5	107.8624	0.271	5	108.4592	0.532	15	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6,6]	4:2:4:4:	4:4:3:1:	4:4:1:1:	C[4x5,6,6]-4:O[5,6]-2:C[3x6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<3>,5|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	107.9690	0.000	1	109.1620	0.812	18	109.1620	0.812	18	109.1620	0.812	18	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	109.1516	1.072	9	109.1620	0.812	18	109.1620	0.812	18	109.1620	0.812	18	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	109.3229	0.651	8	109.1620	0.812	18	109.1620	0.812	18	109.1620	0.812	18	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	107.9943	0.722	3	108.6464	1.145	5	108.6464	1.145	5	108.6464	1.145	5	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	109.2070	0.000	1	108.6464	1.145	5	108.6464	1.145	5	108.6464	1.145	5	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	110.0420	0.000	1	108.6464	1.145	5	108.6464	1.145	5	108.6464	1.145	5	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	110.2110	0.000	1	109.3593	0.568	3	109.2770	0.710	10	109.2770	0.710	10	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	108.9335	0.217	2	109.3593	0.568	3	109.2770	0.710	10	109.2770	0.710	10	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	109.7540	0.000	1	109.2417	0.871	7	109.2770	0.710	10	109.2770	0.710	10	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	108.8280	0.000	1	109.2417	0.871	7	109.2770	0.710	10	109.2770	0.710	10	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	109.3890	0.488	2	109.2417	0.871	7	109.2770	0.710	10	109.2770	0.710	10	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,4|C<4>}	108.2830	0.593	2	109.2417	0.871	7	109.2770	0.710	10	109.2770	0.710	10	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	110.7660	0.000	1	109.2417	0.871	7	109.2770	0.710	10	109.2770	0.710	10	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cl<1>,2|O<1>,4|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<3>,3|H<1>,4|C<4>}	106.7020	0.000	1	106.7020	0.000	1	105.9653	0.950	3	106.6848	2.704	4	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	104.8600	0.000	1	104.8600	0.000	1	105.9653	0.950	3	106.6848	2.704	4	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|O<1>,4|C<4>,8|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	106.3340	0.000	1	106.3340	0.000	1	105.9653	0.950	3	106.6848	2.704	4	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	106.6848	2.704	4	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|C<4>,5|O<2>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	112.2643	0.301	4	112.2643	0.091	4	112.2643	0.091	4	112.2643	0.091	4	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{5|C<4>,6|H<1>}	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	111.5255	0.414	2	111.5255	0.171	2	111.5255	0.171	2	110.6646	2.570	5	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,4|C<4>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	110.6646	2.570	5	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{1|N<4>,4|C<4>,6|H<1>}	111.8350	0.000	1	111.8350	0.000	1	111.1465	0.948	2	110.6646	2.570	5	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	110.4580	0.000	1	110.4580	0.000	1	111.1465	0.948	2	110.6646	2.570	5	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	111.3720	1.690	2	111.3720	2.856	2	111.3720	2.856	2	111.3720	2.856	2	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:2:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{1|O<2>,5|C<4>,5|H<1>}	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	109.4484	2.779	50	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[6,6]	4:3:3:4:	4:4:3:1:	4:4:1:1:	C[4x6]-4:C[5,6a]-3:C[5,6]-3:C[6,6]-4:	C[5,3x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH)	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2	C[5,3x6](C[4x6]C[4x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]HH){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2{1|H<1>,1|N<2>,3|C<4>,4|C<3>}	105.5140	0.000	1	105.5140	0.000	1	105.5140	0.000	1	105.5140	0.000	1	105.5140	0.000	1	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H)	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	110.0070	4.645	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[6]	4:4:4:4:	4:4:3:4:	4:4:1:1:	C[5,6,6]-4:C[4x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<2>,3|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH){2|C<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>,4|H<1>}	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	110.0070	4.645	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6,6]C[3x6]HH)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6,6]C[3x6]HH)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<3>,2|C<4>,6|H<1>}	109.7665	0.238	2	109.7665	0.057	2	109.7665	0.057	2	109.7665	0.057	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	3:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.2170	0.000	1	110.7090	0.516	2	110.7090	0.516	2	110.7090	0.516	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	3:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,3x6](C[5,6,6]O[6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.2010	0.000	1	110.7090	0.516	2	110.7090	0.516	2	110.7090	0.516	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH){1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	108.4490	2.967	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH){1|C<4>,2|O<1>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	108.4490	2.967	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	3:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	101.0000	0.000	1	101.0000	0.000	1	101.0000	0.000	1	101.0000	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	107.3460	0.151	2	107.3460	0.023	2	107.3460	0.023	2	107.3460	0.023	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:3:1:1:	4:3:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:3:1:1:	4:3:2:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H){2|C<3>,3|H<1>,4|C<4>}	105.5325	1.197	2	105.5325	1.433	2	105.5325	1.433	2	105.5325	1.433	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[3x6]O[5]C)(C[6,6]C[3x6]HH)2(N[5]C[5]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[3x6]O[5]C)(C[6,6]C[3x6]HH)2(N[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	107.0240	0.000	1	107.0240	0.000	1	105.2033	2.625	3	105.2033	2.625	3	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	103.9200	0.000	1	103.9200	0.000	1	105.2033	2.625	3	105.2033	2.625	3	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	104.6660	0.000	1	104.6660	0.000	1	105.2033	2.625	3	105.2033	2.625	3	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.8050	0.623	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	107.8050	0.623	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2{2|H<1>,2|O<2>,6|C<4>}	104.9710	0.000	1	104.9710	0.000	1	104.9710	0.000	1	104.9710	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:2:1:	4:4:3:2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	111.8120	0.000	1	111.8120	0.000	1	112.2275	0.345	2	112.2275	0.345	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	112.6430	0.000	1	112.6430	0.000	1	112.2275	0.345	2	112.2275	0.345	2	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.2240	8.105	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[3x6]	4:4:4:3:	4:3:3:1:	4:3:3:1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	110.1500	39.858	3	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[3x6]	4:4:4:4:	4:3:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H)	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	110.1500	39.858	3	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[3x6]	4:4:4:4:	4:4:4:4:	4:3:4:1:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	110.1500	39.858	3	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[6,6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|N<2>,1|O<2>,7|C<4>}	107.7107	0.014	3	107.7107	0.000	3	107.7107	0.000	3	107.7107	0.000	3	108.3816	1.745	7	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[6,6]	4:4:4:3:	4:4:2:2:	4:4:1:1:	C[5,5,3x6]-4:C[3x6]-4:C[6,6]-4:N[5]-3:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH)	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2{2|O<2>,3|C<3>,4|C<4>}	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.3816	1.745	7	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[6,6]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	110.2240	0.000	1	110.2240	0.000	1	108.8760	4.052	3	108.8760	4.052	3	108.3816	1.745	7	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[6,6]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	106.5620	0.000	1	106.5620	0.000	1	108.8760	4.052	3	108.8760	4.052	3	108.3816	1.745	7	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[6,6]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	109.8420	0.000	1	109.8420	0.000	1	108.8760	4.052	3	108.8760	4.052	3	108.3816	1.745	7	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:2:	4:4:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,5|C<4>}	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[3x6]	4:4:4:3:	4:4:2:2:	4:4:4:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6]-4:O[6,6]-2:O[6]-2:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|O<2>,6|H<1>}	110.5530	0.000	1	110.5530	0.000	1	110.2200	0.222	2	110.2200	0.222	2	110.2200	0.222	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[3x6]	4:4:4:3:	4:4:2:2:	4:4:4:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6]-4:O[6,6]-2:O[6]-2:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	109.8870	0.000	1	109.8870	0.000	1	110.2200	0.222	2	110.2200	0.222	2	110.2200	0.222	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:3:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,5|C<4>}	109.9200	0.000	1	109.9200	0.000	1	111.3255	0.663	6	111.3255	0.663	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:3:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<2>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	111.2310	0.000	1	111.6066	0.236	5	111.3255	0.663	6	111.3255	0.663	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:3:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|C<2>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	112.2440	0.000	1	111.6066	0.236	5	111.3255	0.663	6	111.3255	0.663	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:3:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	111.7685	0.030	2	111.6066	0.236	5	111.3255	0.663	6	111.3255	0.663	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:3:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	111.0210	0.000	1	111.6066	0.236	5	111.3255	0.663	6	111.3255	0.663	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{1|O<2>,3|C<3>,3|C<4>,8|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	111.7230	0.000	1	111.3430	0.437	5	111.4033	0.371	6	111.4033	0.371	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	110.3850	0.000	1	111.3430	0.437	5	111.4033	0.371	6	111.4033	0.371	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	111.5357	0.536	3	111.3430	0.437	5	111.4033	0.371	6	111.4033	0.371	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[6]	3:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH){1|O<2>,2|C<3>,4|C<4>,9|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	111.7050	0.000	1	111.7050	0.000	1	111.4033	0.371	6	111.4033	0.371	6	111.3644	0.472	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2{1|C<3>,1|O<2>,2|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	107.5070	0.906	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	107.5070	0.906	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2{3|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH)	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH){10|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2{10|C<4>,1|C<3>,1|H<1>,1|O<2>}	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,5x6]	C[4x6]	C[4x6]	4:4:4:3:	4:4:4:1:	4:4:2:2:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,5x6]-4:C[5x6]-4:C[6]-4:H-1:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H){1|O<1>,3|O<2>,5|C<4>,7|H<1>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[3x6]	4:4:2:2:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5])	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H)	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5]){4|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H){1|S<2>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H){1|S<2>,3|H<1>,4|C<4>}	109.3220	0.392	2	109.3220	0.153	2	109.3220	0.153	2	109.3220	0.153	2	108.3467	2.931	3	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[3x6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H)	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	106.3960	0.000	1	106.3960	0.000	1	106.3960	0.000	1	106.3960	0.000	1	108.3467	2.931	3	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	3:4:4:3:	4:4:3:1:	4:4:2:2:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-2:C-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	3:4:4:3:	4:4:3:1:	4:4:3:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	4:3:4:3:	4:3:3:1:	4:4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	105.7920	0.000	1	105.7920	0.000	1	105.7920	0.000	1	105.7405	0.005	2	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	4:3:4:3:	4:3:3:1:	4:4:3:1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H)	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|N<3>}	105.6890	0.000	1	105.6890	0.000	1	105.6890	0.000	1	105.7405	0.005	2	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	4:3:4:4:	4:3:2:1:	4:4:1:1:	C[3x6]-4:C[5,6a]-3:C[5,5]-4:C[6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:N[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH)	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2{1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	4:4:2:2:	4:4:3:2:	4:4:1:1:	C[3x6]-4:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2{1|C<3>,1|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.7700	0.366	2	107.7700	0.134	2	107.7700	0.134	2	107.7700	0.134	2	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	4:4:2:2:	4:4:3:4:	4:4:1:1:	C[3x6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	110.9795	0.103	4	110.9795	0.011	4	110.9795	0.011	4	110.9795	0.011	4	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6,6]	4:4:4:2:	4:4:3:3:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5])	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO)	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	108.4331	4.300	12	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6]	4:4:4:2:	4:4:4:3:	4:4:4:2:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO)	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO){1|Si<4>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	110.4710	1.889	4	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6]	4:4:4:4:	3:4:3:1:	4:3:1:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.4975	0.500	2	109.4975	0.250	2	109.4975	0.250	2	109.4975	0.250	2	110.4710	1.889	4	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.4710	1.889	4	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[3x6]	3:4:4:3:	4:4:3:1:	4:4:4:1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	106.5670	0.291	2	106.5670	0.085	2	106.5670	0.085	2	106.5670	0.085	2	106.5670	0.085	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	112.9490	0.000	1	112.9490	0.000	1	112.9490	0.000	1	112.9490	0.000	1	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[5]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:4:4:	4:4:4:2:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	114.1890	0.095	2	114.1890	0.009	2	114.1890	0.009	2	114.1890	0.009	2	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H)	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2{2|N<3>,4|H<1>,4|O<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H){2|C<3>,2|C<4>,7|H<1>}	105.2910	0.000	1	105.2910	0.000	1	105.2910	0.000	1	103.6222	0.826	6	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	103.2884	0.443	5	103.2884	0.196	5	103.2884	0.196	5	103.6222	0.826	6	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:2:4:	4:4:2:4:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6,6](C[6,6]C[6]O[6]C)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH)	C[5,6,6](C[6,6]C[6]O[6]C)2(C[5]C[5]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.4611	0.455	11	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	107.8770	0.496	2	107.6686	0.216	8	107.4091	0.472	10	107.4611	0.455	11	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	107.7728	0.471	4	107.6686	0.216	8	107.4091	0.472	10	107.4611	0.455	11	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	107.4970	0.000	1	107.6686	0.216	8	107.4091	0.472	10	107.4611	0.455	11	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	107.0070	0.000	1	107.6686	0.216	8	107.4091	0.472	10	107.4611	0.455	11	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	106.3710	0.212	2	106.3710	0.045	2	107.4091	0.472	10	107.4611	0.455	11	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	109.6975	0.339	2	109.6975	0.115	2	109.6975	0.115	2	109.6975	0.115	2	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,8|H<1>}	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	107.0505	16.641	2	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2{12|H<1>,1|N<3>,1|N<4>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	104.1660	0.000	1	104.1660	0.000	1	104.1660	0.000	1	107.0505	16.641	2	107.5515	10.750	27	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	2:4:4:2:	4:4:4:1:	4:4:1:1:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6]){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	114.1940	0.000	1	114.1940	0.000	1	114.1940	0.000	1	114.1940	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	2:4:4:4:	4:3:4:1:	4:4:1:1:	O[5,6]-2:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:3:4:4:	4:4:4:2:	4:4:1:1:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.9100	0.000	1	110.9100	0.000	1	110.8690	0.003	2	110.8690	0.003	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:3:4:4:	4:4:4:2:	4:4:1:1:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.8280	0.000	1	110.8280	0.000	1	110.8690	0.003	2	110.8690	0.003	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:3:4:	4:4:4:1:	4:3:1:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:2:	4:4:3:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	111.7455	1.068	2	111.7455	1.142	2	111.7455	1.142	2	111.7455	1.142	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:2:	4:4:3:4:	4:4:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]O[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<3>,3|C<4>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:2:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:3:	4:4:4:2:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C){10|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	106.4340	0.000	1	106.8870	0.410	2	106.8870	0.410	2	108.3257	6.414	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	107.3400	0.000	1	106.8870	0.410	2	106.8870	0.410	2	108.3257	6.414	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:3:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	111.2030	0.000	1	111.2030	0.000	1	111.2030	0.000	1	108.3257	6.414	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	109.2444	6.148	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.2610	0.000	1	107.1065	0.048	2	107.1065	0.048	2	109.2444	6.148	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.9520	0.000	1	107.1065	0.048	2	107.1065	0.048	2	109.2444	6.148	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<1>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	109.2444	6.148	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	111.2330	0.000	1	111.7235	0.481	2	110.1580	7.593	3	109.2444	6.148	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	112.2140	0.000	1	111.7235	0.481	2	110.1580	7.593	3	109.2444	6.148	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){10|H<1>,1|C<2>,3|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){4|C<4>,8|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	107.0270	0.000	1	107.0270	0.000	1	110.1580	7.593	3	109.2444	6.148	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:2:	4:4:4:1:	4:4:2:1:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	113.6360	0.082	2	113.6360	0.007	2	113.6360	0.007	2	113.6360	0.007	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	113.4650	0.000	1	112.9935	0.445	2	112.9935	0.445	2	112.9935	0.445	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	112.5220	0.000	1	112.9935	0.445	2	112.9935	0.445	2	112.9935	0.445	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:3:	4:4:3:1:	4:2:1:1:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:3:	4:4:3:1:	4:4:4:1:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	112.3620	0.717	2	112.3620	0.514	2	112.3620	0.514	2	112.3620	0.514	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:4:	4:3:4:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:4:	4:4:3:1:	4:4:1:1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	114.0670	0.000	2	113.3025	0.779	4	113.3025	0.779	4	113.3025	0.779	4	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:4:	4:4:3:1:	4:4:1:1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	112.5380	0.000	2	113.3025	0.779	4	113.3025	0.779	4	113.3025	0.779	4	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:4:	4:4:3:1:	4:4:2:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:2:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	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>}	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:3:3:4:	4:3:2:1:	4:4:1:1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]BrH){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:3:4:2:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:3:4:2:	4:4:2:1:	4:4:3:1:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H)	C[5,6,6](C[6,6]C[5,6]O[6]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H){3|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:3:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:3:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	105.6580	0.000	1	105.6580	0.000	1	105.6580	0.000	1	105.6580	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:3:4:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	110.7978	2.880	4	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	111.3270	0.057	2	110.3280	2.996	3	110.3280	2.996	3	110.7978	2.880	4	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	108.3300	0.000	1	110.3280	2.996	3	110.3280	2.996	3	110.7978	2.880	4	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:3:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|B<3>,1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|B<3>,2|C<3>,3|C<4>,3|H<1>}	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	113.9050	0.351	2	113.9050	0.123	2	113.1823	1.628	3	113.3804	1.401	5	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	111.7370	0.000	1	111.7370	0.000	1	113.1823	1.628	3	113.3804	1.401	5	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5]){5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	112.6640	0.000	1	112.6640	0.000	1	113.6775	2.054	2	113.3804	1.401	5	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	114.6910	0.000	1	114.6910	0.000	1	113.6775	2.054	2	113.3804	1.401	5	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	113.1560	0.745	4	113.1560	0.555	4	113.1560	0.555	4	112.4040	3.244	5	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	112.4040	3.244	5	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:3:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	116.1555	0.250	2	116.1555	0.062	2	116.1555	0.062	2	116.1555	0.062	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	113.2250	0.000	1	112.9305	0.173	2	112.9305	0.173	2	112.9305	0.173	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	112.6360	0.000	1	112.9305	0.173	2	112.9305	0.173	2	112.9305	0.173	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	114.9810	0.588	3	114.9810	0.346	3	114.9810	0.346	3	114.9810	0.346	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2{1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	111.9600	0.000	1	111.9600	0.000	1	112.1950	0.110	2	111.5503	0.721	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|H<1>,4|C<4>}	112.4300	0.000	1	112.4300	0.000	1	112.1950	0.110	2	111.5503	0.721	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.1020	0.000	1	112.1600	0.007	2	111.4877	1.359	3	111.5503	0.721	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	112.2180	0.000	1	112.1600	0.007	2	111.4877	1.359	3	111.5503	0.721	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.1430	0.000	1	110.1430	0.000	1	111.4877	1.359	3	111.5503	0.721	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	110.9995	0.213	2	110.9995	0.045	2	110.9995	0.045	2	111.5503	0.721	7	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	109.2230	0.000	1	109.3685	0.042	2	109.3200	0.028	3	109.3200	0.028	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	109.5140	0.000	1	109.3685	0.042	2	109.3200	0.028	3	109.3200	0.028	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	109.2230	0.000	1	109.2230	0.000	1	109.3200	0.028	3	109.3200	0.028	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:2:2:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,6|H<1>}	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	106.6280	0.037	2	106.6280	0.001	2	106.3870	0.175	3	106.3870	0.175	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	105.9050	0.000	1	105.9050	0.000	1	106.3870	0.175	3	106.3870	0.175	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2{2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	103.7450	0.000	1	103.7450	0.000	1	103.7450	0.000	1	103.7450	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2{2|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	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>}	107.4860	1.294	2	107.4860	1.674	2	107.4860	1.674	2	107.4860	1.674	2	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:2:4:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>,4|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:3:2:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.1343	0.331	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:3:2:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|O<2>,3|H<1>,4|C<4>}	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	109.1343	0.331	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:3:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	109.1343	0.331	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|N<3>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,4|C<4>,6|H<1>}	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	110.7543	1.545	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	110.7543	1.545	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	110.7543	1.545	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H)	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H){1|O<2>,5|C<4>,5|H<1>}	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	107.7450	0.954	3	107.7450	0.909	3	107.7450	0.909	3	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2{1|O<2>,4|C<4>,4|H<1>}	108.2400	0.000	1	108.2400	0.000	1	109.1660	1.715	2	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	110.0920	0.000	1	110.0920	0.000	1	109.1660	1.715	2	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,4|C<4>,5|H<1>}	106.3590	0.288	2	106.3590	0.083	2	106.3590	0.083	2	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|Br<1>,1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,4|C<4>,5|H<1>}	110.0140	0.000	1	110.0140	0.000	1	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	109.5420	0.076	2	109.5420	0.006	2	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	111.0247	0.045	3	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	110.7250	0.000	1	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	110.8411	0.261	8	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	110.3743	1.041	4	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	110.6260	0.000	1	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	111.8930	0.000	1	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	110.5790	0.260	2	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	110.1810	0.000	1	110.7563	0.318	21	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>,6|H<1>}	111.3017	0.466	3	111.3017	0.217	3	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	111.1070	0.000	1	111.1070	0.000	1	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	111.9160	0.000	1	111.9160	0.000	1	110.7555	0.452	29	110.1133	2.209	37	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	112.5100	0.000	1	110.2030	10.644	2	110.0267	5.416	3	110.0267	5.416	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	107.8960	0.000	1	110.2030	10.644	2	110.0267	5.416	3	110.0267	5.416	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){12|H<1>,1|C<3>,2|C<4>,4|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	109.6740	0.000	1	109.6740	0.000	1	110.0267	5.416	3	110.0267	5.416	3	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H){1|O<2>,5|C<4>,5|H<1>}	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	110.7932	5.374	141	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	2:4:4:2:	4:4:1:1:	4:4:4:2:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	113.2975	0.738	2	113.2975	0.544	2	113.2975	0.544	2	113.2975	0.544	2	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	3:4:4:4:	4:3:1:1:	4:4:4:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,7|H<1>}	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:2:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN){2|O<2>,4|H<1>,5|C<4>}	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	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>}	115.2490	0.000	1	115.2490	0.000	1	115.2127	0.203	7	115.2127	0.203	7	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	115.6630	0.079	2	115.6630	0.006	2	115.2127	0.203	7	115.2127	0.203	7	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	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>}	114.8765	0.636	2	114.9785	0.196	4	115.2127	0.203	7	115.2127	0.203	7	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	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>}	115.0805	0.377	2	114.9785	0.196	4	115.2127	0.203	7	115.2127	0.203	7	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:2:	4:4:4:2:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	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>}	113.6660	0.000	1	114.3307	1.115	4	114.3307	1.115	4	114.3307	1.115	4	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:2:	4:4:4:2:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	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>}	114.5523	1.174	3	114.3307	1.115	4	114.3307	1.115	4	114.3307	1.115	4	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	113.7772	5.509	16	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:4:4:4:	4:2:1:1:	4:2:1:1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2{2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2{2|O<2>,4|C<4>,4|H<1>}	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	109.5055	7.996	6	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	109.5055	7.996	6	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	109.5055	7.996	6	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:2:	4:3:1:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	109.5055	7.996	6	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	109.5055	7.996	6	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[6]	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2{1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2{2|O<1>,2|O<2>,3|H<1>,4|C<4>}	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	109.5055	7.996	6	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[3x6]	C[6]	4:3:3:4:	4:4:4:3:	4:4:1:1:	C[3x6]-4:C[5]-3:N[5]-3:C[6]-4:	C[4x6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO)	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	108.3255	8.230	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[3x6]	C[6]	4:3:4:3:	4:3:4:1:	4:3:3:1:	C[3x6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	108.3255	8.230	2	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:4:4:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){2|C<3>,2|O<2>,5|C<4>,9|H<1>}	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	110.3957	3.633	3	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	109.3060	0.378	2	109.3060	0.143	2	109.3060	0.143	2	109.3060	0.143	2	110.3957	3.633	3	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	3:4:4:3:	4:3:3:1:	4:3:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	105.9320	0.000	1	105.9320	0.000	1	105.9320	0.000	1	105.9320	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	3:4:4:3:	4:3:4:1:	4:3:2:2:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	3:4:4:3:	4:4:2:1:	4:4:3:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	3:4:4:3:	4:4:3:2:	4:4:4:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:C-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	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>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	3:4:4:4:	4:4:4:4:	4:3:1:1:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:3:4:3:	4:3:3:1:	4:3:3:1:	C[6,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	3:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:3:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	113.1665	0.028	2	113.1665	0.001	2	113.1665	0.001	2	113.1665	0.001	2	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:2:2:	4:4:1:1:	C[6,6]-4:C[6]-4:N[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH)	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,2|O<2>}	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2{1|N<3>,2|H<1>,4|C<4>}	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{10|H<1>,2|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	113.4225	0.129	2	113.4225	0.017	2	112.6850	0.822	4	112.7500	0.637	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	112.3170	0.000	1	111.9475	0.273	2	112.6850	0.822	4	112.7500	0.637	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	111.5780	0.000	1	111.9475	0.273	2	112.6850	0.822	4	112.7500	0.637	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,3|C<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	112.7500	0.637	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	113.7650	0.000	1	113.5880	0.033	3	113.5880	0.033	3	113.1172	0.440	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	113.4040	0.000	1	113.5880	0.033	3	113.5880	0.033	3	113.1172	0.440	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{5|C<4>,7|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	113.5950	0.000	1	113.5880	0.033	3	113.5880	0.033	3	113.1172	0.440	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2{11|H<1>,1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	113.1172	0.440	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	113.1172	0.440	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	112.6265	0.619	2	112.7287	0.230	7	112.7287	0.230	7	112.7287	0.230	7	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:2:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	112.7696	0.492	5	112.7287	0.230	7	112.7287	0.230	7	112.7287	0.230	7	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:3:2:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	112.9400	0.000	1	112.9400	0.000	1	112.9400	0.000	1	112.9400	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:3:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	108.4700	0.000	1	108.4700	0.000	1	108.0820	0.116	3	108.0820	0.116	3	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:3:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	107.9420	0.000	1	107.9420	0.000	1	108.0820	0.116	3	108.0820	0.116	3	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:3:3:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	107.8340	0.000	1	107.8340	0.000	1	108.0820	0.116	3	108.0820	0.116	3	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:3:3:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2{1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:3:3:	4:3:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:3:3:	4:4:4:2:	4:4:2:1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:3:4:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	114.3780	0.000	1	114.2297	0.054	3	113.3884	4.748	5	113.3884	4.748	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	114.1555	0.275	2	114.2297	0.054	3	113.3884	4.748	5	113.3884	4.748	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	114.7320	0.000	1	114.7320	0.000	1	113.3884	4.748	5	113.3884	4.748	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	109.5210	0.000	1	109.5210	0.000	1	113.3884	4.748	5	113.3884	4.748	5	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:3:4:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:4:	4:4:3:1:	4:3:4:4:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC){3|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,8|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	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>}	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	111.1862	5.590	45	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6,6]	3:4:4:3:	4:4:3:1:	4:4:2:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,5|C<3>}	110.8100	0.430	2	110.8100	0.185	2	110.5203	0.344	3	110.5203	0.344	3	110.4218	0.268	4	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6,6]	3:4:4:3:	4:4:3:1:	4:4:2:1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]O[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	109.9410	0.000	1	109.9410	0.000	1	110.5203	0.344	3	110.5203	0.344	3	110.4218	0.268	4	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6,6]	3:4:4:3:	4:4:3:1:	4:4:4:4:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O){2|C<4>,4|C<3>,9|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3{1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	110.4218	0.268	4	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[5]-2:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](O[5]C[5,6a])2(C[6]C[6]HH)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](O[5]C[5,6a])2(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.0155	0.506	2	113.0155	0.256	2	113.0155	0.256	2	113.0155	0.256	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:2:4:4:	4:3:4:1:	4:3:2:1:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:N[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	110.6890	0.926	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:S[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[5,6a]H)(S[5]C[5,6a])(C[6]C[6]HH)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](N[5]C[5,6a]H)(S[5]C[5,6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.1730	0.505	2	110.1730	0.255	2	110.1730	0.255	2	110.6890	0.926	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2{2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2{2|H<1>,7|C<3>}	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[4,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[4,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[4,6]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2{1|C<4>,3|H<1>,7|C<3>}	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	110.7700	1.051	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2	C[6](C[5,6]C[5,6a]2C[6])2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6])2(H)2{3|H<1>,9|C<3>}	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.7700	1.051	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5a]-3:C[5,5a]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,5a]C[5,5a]C[5a])2(C[6]C[6]HH)2	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5a]C[5,5a]C[5a])2(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|S<2>,6|H<1>}	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	109.2963	0.510	3	109.2963	0.261	3	109.2963	0.261	3	110.2794	2.137	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	110.2794	2.137	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]2C[6])2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]2C[6])2(H)2{1|C<4>,4|H<1>,8|C<3>}	111.6800	0.877	4	111.6800	0.770	4	111.6800	0.770	4	110.2794	2.137	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|C<4>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	110.2794	2.137	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:3:1:	4:4:1:1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.2937	0.440	3	112.2937	0.194	3	112.2937	0.194	3	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,5a]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	112.2600	0.000	1	112.2600	0.000	1	112.2600	0.000	1	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	109.5380	0.331	2	109.2475	0.327	4	109.2475	0.327	4	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5]){1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	108.9570	0.730	2	109.2475	0.327	4	109.2475	0.327	4	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	111.8600	0.000	1	111.8600	0.000	1	111.5267	0.083	3	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5])	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	111.3600	0.000	2	111.3600	0.000	2	111.5267	0.083	3	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	N[5]-3:C[6]-4:C[6]-4:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	N[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.8330	0.187	2	110.8330	0.035	2	110.8330	0.035	2	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	N[5]-3:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(S[5]C[5]){1|C<4>,1|O<1>,2|N<2>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.9277	1.468	16	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	3:4:3:1:	4:3:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S){1|C<4>,1|H<1>,8|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|S<1>,1|S<2>,2|N<3>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H){1|S<1>,2|N<3>,3|H<1>,6|C<3>}	109.2120	0.000	1	109.2120	0.000	1	109.2120	0.000	1	109.2120	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	3:4:3:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	110.2740	0.000	1	110.9965	1.044	2	110.9965	1.044	2	109.3010	4.762	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	3:4:3:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	111.7190	0.000	1	110.9965	1.044	2	110.9965	1.044	2	109.3010	4.762	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	3:4:3:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	106.6720	0.000	1	106.6720	0.000	1	107.6055	1.743	2	109.3010	4.762	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	3:4:3:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	108.5390	0.000	1	108.5390	0.000	1	107.6055	1.743	2	109.3010	4.762	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	3:4:4:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	110.7322	1.056	4	110.7322	1.116	4	110.7322	1.116	4	110.7322	1.116	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:1:1:	4:3:2:2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2{1|N<3>,1|O<1>,3|H<1>,5|C<3>}	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	110.5920	0.000	1	110.5920	0.000	1	109.9783	2.430	3	109.9783	2.430	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	109.6715	2.073	2	109.6715	4.295	2	109.9783	2.430	3	109.9783	2.430	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:1:1:	4:4:2:2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:2:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.5220	1.652	2	110.5220	2.728	2	110.3943	1.413	3	110.3943	1.413	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:2:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.1390	0.000	1	110.1390	0.000	1	110.3943	1.413	3	110.3943	1.413	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:3:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){3|H<1>,9|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	112.7240	0.000	1	112.7240	0.000	1	111.2804	1.199	5	110.8465	2.089	6	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O){3|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	110.9195	0.855	4	110.9195	0.731	4	111.2804	1.199	5	110.8465	2.089	6	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	110.8465	2.089	6	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	105.5360	0.000	1	105.5360	0.000	1	107.2100	5.605	2	107.2100	5.605	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.8840	0.000	1	108.8840	0.000	1	107.2100	5.605	2	107.2100	5.605	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:4:2:2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	108.7825	0.452	2	108.7825	0.204	2	108.7825	0.204	2	108.7825	0.204	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:1:	4:4:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:2:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6a]C[5]C[6])2(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])2(COO)(H){1|O<2>,2|N<3>,2|O<1>,7|C<3>}	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:4:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	109.5150	0.000	2	109.5962	0.619	4	109.5962	0.619	4	109.5962	0.619	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:3:4:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	109.6775	1.353	2	109.5962	0.619	4	109.5962	0.619	4	109.5962	0.619	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:4:1:	4:2:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:4:1:	4:3:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:4:1:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){5|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	110.8290	0.000	1	110.8290	0.000	1	111.4025	0.658	2	111.4025	0.658	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:4:1:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]O[5]O){5|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	111.9760	0.000	1	111.9760	0.000	1	111.4025	0.658	2	111.4025	0.658	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:4:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:4:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.0430	0.000	1	108.0430	0.000	1	108.6440	0.722	2	108.6440	0.722	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:3:4:1:	4:4:3:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]O[5]O){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.2450	0.000	1	109.2450	0.000	1	108.6440	0.722	2	108.6440	0.722	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	109.1460	0.000	1	109.1460	0.000	1	109.1220	0.001	2	109.6786	0.417	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.0980	0.000	1	109.0980	0.000	1	109.1220	0.001	2	109.6786	0.417	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(N[5]C[5]O)	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(N[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	109.6786	0.417	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:1:1:	4:4:1:1:	N[5]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O){3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.6786	0.417	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:1:1:	4:4:1:1:	N[5]-3:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(N[5]C[5]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(N[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.6786	0.417	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:2:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	111.0440	0.000	1	111.0440	0.000	1	110.5315	0.525	2	110.5315	0.525	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	110.0190	0.000	1	110.0190	0.000	1	110.5315	0.525	2	110.5315	0.525	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:4:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	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>}	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:1:	4:4:4:2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:3:3:	4:4:2:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:4:1:	4:3:4:1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:3:	4:4:4:1:	4:4:1:1:	N[5,5]-3:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5,5]C[5,5]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2	C[5,6](N[5,5]C[5,5]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	108.9305	0.224	2	108.9305	0.050	2	108.9305	0.050	2	108.9305	0.050	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>,5|C<3>}	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	110.0423	0.018	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:3:1:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	109.9750	0.093	2	109.9750	0.009	2	109.9750	0.009	2	110.0423	0.018	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2{2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	108.2240	0.000	1	108.0625	0.052	2	109.0275	1.315	4	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	107.9010	0.000	1	108.0625	0.052	2	109.0275	1.315	4	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.2830	0.000	1	110.2830	0.000	1	109.0275	1.315	4	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2{2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.7020	0.000	1	109.7020	0.000	1	109.0275	1.315	4	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,8|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<6>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<6>,1|N<3>,2|C<4>,6|H<1>}	108.9580	0.000	1	108.9580	0.000	1	108.6551	0.873	7	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<4>,6|H<1>}	108.1350	0.000	1	108.1350	0.000	1	108.6551	0.873	7	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	107.3300	0.000	1	107.3300	0.000	1	108.6551	0.873	7	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	108.6390	0.000	1	108.6390	0.000	1	108.6551	0.873	7	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	108.4380	0.000	1	108.4380	0.000	1	108.6551	0.873	7	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	108.6790	0.000	1	108.6790	0.000	1	108.6551	0.873	7	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,6|H<1>}	110.4070	0.000	1	110.4070	0.000	1	108.6551	0.873	7	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]HH)2{1|Ir<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	111.3515	0.729	2	111.3515	0.531	2	111.3515	0.531	2	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,6|H<1>}	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{1|C<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,1|O<1>,3|C<4>,5|H<1>}	109.9520	0.735	2	110.2073	0.466	3	110.2850	0.335	4	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	110.7180	0.000	1	110.2073	0.466	3	110.2850	0.335	4	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	110.5180	0.000	1	110.5180	0.000	1	110.2850	0.335	4	109.4308	1.454	19	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	111.1080	0.817	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	111.5340	0.738	2	111.5340	0.545	2	111.5340	0.545	2	111.1080	0.817	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:2:2:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[5]-2:O[5]-2:C[6]-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(O[5]C[5,6a])2(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(O[5]C[5,6a])2(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	113.6910	0.979	2	113.6910	0.958	2	113.6910	0.958	2	113.6910	0.958	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	111.7910	0.000	1	111.7910	0.000	1	111.6730	0.028	2	111.6730	0.028	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	111.5550	0.000	1	111.5550	0.000	1	111.6730	0.028	2	111.6730	0.028	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:2:4:	4:3:4:1:	4:4:3:1:	C[6]-4:C[5]-3:S[5]-2:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(C[6]C[6]CH){4|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:2:4:	4:4:3:1:	4:4:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|H<1>,1|N<2>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.3410	0.000	1	110.3410	0.000	1	110.4760	0.036	2	110.4760	0.036	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:2:4:	4:4:3:1:	4:4:4:1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.6110	0.000	1	110.6110	0.000	1	110.4760	0.036	2	110.4760	0.036	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:2:4:	4:4:3:1:	4:4:4:2:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.3378	1.065	6	111.3378	1.134	6	111.3378	1.134	6	111.3378	1.134	6	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:3:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH){1|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:3:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,2|O<1>,6|C<3>}	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:3:4:	4:3:4:1:	4:4:2:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	111.1120	1.235	2	111.1120	1.524	2	111.1120	1.524	2	111.1120	1.524	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:3:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:3:	4:3:3:1:	4:3:4:1:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	108.8890	0.259	2	108.8890	0.067	2	108.8890	0.067	2	109.2228	0.191	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	109.7300	0.000	1	109.5565	0.060	2	109.5565	0.060	2	109.2228	0.191	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	109.3830	0.000	1	109.5565	0.060	2	109.5565	0.060	2	109.2228	0.191	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,6|C<3>}	108.5373	1.377	3	109.2288	1.642	6	108.8137	1.168	17	108.8137	1.168	17	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	109.9203	0.880	3	109.2288	1.642	6	108.8137	1.168	17	108.8137	1.168	17	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<4>,4|H<1>,5|C<3>}	107.6135	0.042	2	107.6135	0.002	2	108.8137	1.168	17	108.8137	1.168	17	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,5|C<3>}	108.5546	0.601	7	108.5569	0.310	8	108.8137	1.168	17	108.8137	1.168	17	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|C<3>}	108.5730	0.000	1	108.5569	0.310	8	108.8137	1.168	17	108.8137	1.168	17	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>,4|C<3>}	110.7780	0.000	1	110.7780	0.000	1	108.8137	1.168	17	108.8137	1.168	17	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	112.4380	0.349	2	112.4380	0.122	2	112.4380	0.122	2	111.5632	0.750	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	111.1780	0.000	1	110.9800	0.163	3	110.9800	0.163	3	111.5632	0.750	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.8810	0.516	2	110.9800	0.163	3	110.9800	0.163	3	111.5632	0.750	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:3:4:4:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	111.6765	0.006	2	111.6765	0.000	2	111.6765	0.000	2	111.0437	0.956	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	110.4110	1.126	2	110.4110	1.267	2	110.4110	1.267	2	111.0437	0.956	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	113.0805	0.308	2	113.0805	0.095	2	113.0805	0.095	2	113.0805	0.095	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(O[6]C[5,6])(H)2	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2{2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(O[6]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	110.5437	0.254	3	110.5437	0.065	3	111.2067	1.802	4	110.5790	2.044	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	113.1960	0.000	1	113.1960	0.000	1	111.2067	1.802	4	110.5790	2.044	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	110.2490	0.000	1	110.2490	0.000	1	109.2775	1.888	2	110.5790	2.044	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,1|S<1>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2{2|H<1>,4|C<4>}	108.3060	0.000	1	108.3060	0.000	1	109.2775	1.888	2	110.5790	2.044	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.5790	2.044	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2{2|H<1>,7|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	113.0110	0.000	1	113.0110	0.000	1	111.3993	2.285	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.5935	0.821	2	110.5935	0.674	2	111.3993	2.285	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2{6|H<1>,7|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	110.5590	1.025	2	110.5590	1.051	2	110.5710	0.526	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	110.5950	0.000	1	110.5950	0.000	1	110.5710	0.526	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2{3|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	112.8390	0.000	1	112.8390	0.000	1	112.9145	0.011	2	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	112.9900	0.000	1	112.9900	0.000	1	112.9145	0.011	2	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	111.0810	0.000	1	111.0810	0.000	1	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.9370	0.000	1	113.9370	0.000	1	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{4|H<1>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	111.7610	0.000	1	111.7610	0.000	1	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	111.8090	0.000	1	111.8090	0.000	1	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	110.0720	0.115	2	110.0720	0.013	2	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2{2|H<1>,5|C<4>}	110.2540	0.000	1	110.2540	0.000	1	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	113.6030	0.000	1	113.0673	0.137	4	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	112.8500	0.000	1	113.0673	0.137	4	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	113.0210	0.000	1	113.0673	0.137	4	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	112.7950	0.000	1	113.0673	0.137	4	111.9323	2.010	11	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{1|P<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	113.4510	0.000	1	114.2470	1.267	2	114.2470	1.267	2	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{1|P<4>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|Pd<4>,1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|Pd<4>,1|C<3>,5|C<4>,6|H<1>}	115.0430	0.000	1	114.2470	1.267	2	114.2470	1.267	2	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5])	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5]){1|C<3>,6|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	113.8310	0.000	1	113.8310	0.000	1	112.0763	4.494	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2{1|O<1>,2|N<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	111.1990	2.090	2	111.1990	4.369	2	112.0763	4.494	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.7530	0.404	2	113.7530	0.164	2	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.3000	0.000	1	111.3000	0.000	1	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.7005	0.276	2	111.9104	0.606	20	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.9337	0.816	18	111.9104	0.606	20	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	112.9877	0.407	3	112.3860	0.797	5	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.2180	0.000	1	112.3860	0.797	5	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	111.7490	0.000	1	112.3860	0.797	5	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.7720	1.063	2	111.7720	1.131	2	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	111.9160	0.000	1	111.9160	0.000	1	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	110.9425	0.614	2	111.2117	0.324	6	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.8485	0.122	2	111.2117	0.324	6	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	110.8180	0.000	1	111.2117	0.324	6	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	110.8700	0.000	1	111.2117	0.324	6	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	112.0120	0.000	1	112.0120	0.000	1	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.8070	0.471	2	112.0342	0.698	33	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.9300	0.000	1	112.0342	0.698	33	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.9920	0.000	1	112.0342	0.698	33	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.5790	0.000	1	112.0342	0.698	33	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.4730	1.320	8	112.0342	0.698	33	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	112.2615	0.560	20	112.0342	0.698	33	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	110.5070	0.000	1	110.5070	0.000	1	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.7600	0.000	1	111.7600	0.000	1	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	110.0870	0.000	1	110.0557	0.002	3	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{3|C<4>,4|H<1>}	110.0400	0.042	2	110.0557	0.002	3	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.7260	0.383	6	110.6490	0.380	10	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.7000	0.000	1	110.6490	0.380	10	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|P<4>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|P<4>,2|H<1>,3|C<4>}	109.9550	0.755	2	110.6490	0.380	10	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	110.5240	0.000	1	110.6490	0.380	10	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|P<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.3110	0.000	1	112.3110	0.000	1	111.7477	0.945	87	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.5580	0.000	1	112.5580	0.000	1	111.7580	0.721	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<2>,1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.8490	0.000	1	111.8490	0.000	1	111.7580	0.721	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.8670	0.000	1	110.8670	0.000	1	111.7580	0.721	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,5|H<1>}	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	110.6820	0.076	2	110.6820	0.006	2	110.4473	0.168	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	109.9780	0.000	1	109.9780	0.000	1	110.4473	0.168	3	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2	C[5,6](C[6]C[6]HH)2(S[5]C[5])2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2{1|S<4>,2|H<1>,3|C<4>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2{1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	111.7011	1.304	124	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H)	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H){3|C<4>,4|H<1>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[6]C[6]CH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H)	C[5,6](C[6]C[6]CH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	111.0870	0.768	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	112.5470	0.000	1	112.5470	0.000	1	111.3232	0.545	5	111.0870	0.768	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	111.0080	0.000	1	111.0172	0.102	4	111.3232	0.545	5	111.0870	0.768	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	111.0203	0.391	3	111.0172	0.102	4	111.3232	0.545	5	111.0870	0.768	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{1|H<1>,4|C<3>,4|C<4>}	111.4475	0.261	2	111.4475	0.068	2	111.4475	0.068	2	111.0870	0.768	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	111.0870	0.768	9	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[6]C[6]CH)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H)	C[5,6](C[6]C[6]CH)2(O[5]C[5])2{1|S<2>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H){1|H<1>,4|C<4>}	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	112.3025	0.274	2	112.3025	0.075	2	112.3025	0.075	2	112.3025	0.075	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO){1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,4|C<4>}	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.1812	0.645	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,8|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO){3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	113.1812	0.645	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	113.1812	0.645	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:2:2:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	112.3635	0.262	2	112.3635	0.069	2	112.3635	0.069	2	113.1812	0.645	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,1|N<3>,3|H<1>,5|C<3>}	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	111.7550	2.197	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<3>,4|H<1>}	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	111.7550	2.197	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5]){3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5]){1|H<1>,1|O<1>,3|C<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	110.0350	0.331	2	110.0350	0.110	2	110.0350	0.110	2	110.0350	0.110	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(N[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.8330	1.302	2	110.8330	1.696	2	110.8330	1.696	2	111.3650	1.697	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	111.3650	1.697	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	109.9500	0.113	2	109.9500	0.013	2	109.9500	0.013	2	110.9040	0.697	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	109.8760	0.000	1	109.8760	0.000	1	111.1189	0.676	8	110.9040	0.697	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	111.3038	0.770	6	111.2964	0.495	7	111.1189	0.676	8	110.9040	0.697	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	111.2520	0.000	1	111.2964	0.495	7	111.1189	0.676	8	110.9040	0.697	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|S<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	110.9040	0.697	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|C<3>}	112.7720	0.203	3	112.6562	0.081	4	112.6562	0.081	4	112.6562	0.081	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:3:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,4|C<3>}	112.3090	0.000	1	112.6562	0.081	4	112.6562	0.081	4	112.6562	0.081	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]N[5]){1|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	110.5160	0.000	1	110.5160	0.000	1	108.9120	1.988	3	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2	C[5,6](C[6]C[6]HH)2(C[5]O[5]O)(N[5]C[5]){1|N<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	108.1100	0.342	2	108.1100	0.117	2	108.9120	1.988	3	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	110.0860	0.000	1	110.0860	0.000	1	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	111.8750	0.000	1	111.4450	0.370	2	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	111.0150	0.000	1	111.4450	0.370	2	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	111.7985	0.136	2	111.7985	0.019	2	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.7727	0.474	6	111.6672	0.332	9	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	112.0440	0.000	1	111.6672	0.332	9	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.1625	0.902	2	111.6672	0.332	9	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|C<4>,4|H<1>}	110.4650	0.000	1	110.4650	0.000	1	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.0510	0.000	1	112.0510	0.000	1	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]S[5]C)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]S[5]C)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	111.1490	0.000	1	111.1490	0.000	1	111.4849	0.436	17	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	113.4330	0.000	1	113.4330	0.000	1	112.6425	1.250	2	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	111.8520	0.000	1	111.8520	0.000	1	112.6425	1.250	2	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	110.1750	0.000	1	110.4250	0.351	4	110.9364	1.103	11	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	111.2740	0.000	1	110.4250	0.351	4	110.9364	1.103	11	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	110.1255	0.302	2	110.4250	0.351	4	110.9364	1.103	11	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	110.3517	0.618	3	110.4768	0.317	4	110.9364	1.103	11	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]N)(S[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	110.8520	0.000	1	110.4768	0.317	4	110.9364	1.103	11	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5]){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	111.6715	0.476	2	111.6715	0.226	2	110.9364	1.103	11	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2	C[5,6](C[6]C[6]HH)2(N[5]N[5]C)(S[5]C[5]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	113.3500	0.000	1	113.3500	0.000	1	110.9364	1.103	11	111.1383	1.410	33	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	109.8750	0.745	2	109.8750	0.555	2	109.8750	0.555	2	109.8750	0.555	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	112.5285	2.016	2	112.5285	4.064	2	112.3930	1.388	4	112.3930	1.388	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	112.2575	0.161	2	112.2575	0.026	2	112.3930	1.388	4	112.3930	1.388	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	3:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	3:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|H<1>,9|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	110.1063	1.111	3	110.1063	1.235	3	110.1063	1.235	3	110.1063	1.235	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	3:4:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:2:1:1:	4:2:4:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C[5,6](C[6]O[6]CH)(C[6]O[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|O<2>,3|C<3>,5|H<1>}	107.1180	0.000	1	107.1180	0.000	1	107.1180	0.000	1	107.1180	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|H<1>,8|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,6|C<3>}	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	109.5802	1.092	5	109.5802	1.192	5	109.5802	1.192	5	109.9626	1.223	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.9185	0.107	2	110.9185	0.011	2	110.9185	0.011	2	109.9626	1.223	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	109.8030	0.000	1	109.8030	0.000	1	109.8150	0.000	2	109.8150	0.000	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	109.8270	0.000	1	109.8270	0.000	1	109.8150	0.000	2	109.8150	0.000	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,8|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:1:	4:4:4:2:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	109.8015	0.289	2	109.8015	0.084	2	109.8015	0.084	2	109.5717	0.200	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	109.5717	0.200	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.6300	0.000	1	110.6300	0.000	1	109.3085	3.493	2	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.9870	0.000	1	107.9870	0.000	1	109.3085	3.493	2	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	111.2050	0.000	1	111.2050	0.000	1	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.7340	2.956	2	109.5877	8.310	3	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	107.2950	0.000	1	109.5877	8.310	3	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	110.2130	0.000	1	109.5840	0.791	2	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]C[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	108.9550	0.000	1	109.5840	0.791	2	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.7970	0.000	1	111.7970	0.000	1	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	110.5265	0.227	2	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	111.0890	0.503	3	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	111.0795	0.083	2	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	110.1977	0.170	3	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	110.8210	0.000	1	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.6907	0.062	3	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	111.1900	0.533	2	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	109.2830	0.000	1	110.6840	0.311	17	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	111.0535	0.518	2	111.0535	0.269	2	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(C[5]N[5]S)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(C[5]N[5]S)(N[5]C[5]H){1|C<4>,1|S<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.5781	1.163	27	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6]HH)2(N[5]C[5]H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6]HH)2(N[5]C[5]H)2{1|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	110.9035	0.272	2	110.9035	0.074	2	110.9035	0.074	2	110.5214	1.198	32	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,3|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	111.3205	0.269	2	111.3205	0.073	2	111.3205	0.073	2	111.3205	0.073	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	109.5080	0.000	1	109.4013	0.021	3	109.4013	0.021	3	109.4013	0.021	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(COO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	109.3480	0.157	2	109.4013	0.021	3	109.4013	0.021	3	109.4013	0.021	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	110.6335	0.203	2	110.6335	0.041	2	110.2785	0.206	4	110.2785	0.206	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6a]C[6]H)2(C[5]C[5,6a]O)2{1|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	109.9235	0.271	2	109.9235	0.073	2	110.2785	0.206	4	110.2785	0.206	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:3:3:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	109.4070	0.030	2	109.4070	0.001	2	109.4070	0.001	2	109.4070	0.001	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:3:4:4:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	112.5790	0.000	1	112.5790	0.000	1	111.4063	1.031	3	111.4063	1.031	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:3:4:4:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	110.8200	0.000	2	110.8200	0.000	2	111.4063	1.031	3	111.4063	1.031	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5]){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	108.9640	0.000	1	108.9640	0.000	1	111.2188	15.819	6	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.7910	0.000	1	109.3545	0.381	2	111.2188	15.819	6	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<4>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	108.9180	0.000	1	109.3545	0.381	2	111.2188	15.819	6	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5]){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	110.1940	0.219	2	110.1940	0.048	2	111.2188	15.819	6	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	119.2520	0.000	1	119.2520	0.000	1	111.2188	15.819	6	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,6|H<1>}	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	110.2270	0.000	1	110.2270	0.000	1	110.0182	1.088	4	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2{3|C<4>,4|H<1>}	108.9420	0.000	1	108.9420	0.000	1	110.0182	1.088	4	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	109.5340	0.000	1	109.5340	0.000	1	110.0182	1.088	4	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5]){3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	111.3700	0.000	1	111.3700	0.000	1	110.0182	1.088	4	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	108.8800	0.625	2	108.8800	0.391	2	108.8800	0.391	2	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5]){1|C<4>,1|O<2>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,6|H<1>}	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2{1|N<4>,3|C<4>,5|H<1>}	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.6330	0.823	6	109.6330	0.677	6	109.8257	0.824	7	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	110.9820	0.000	1	110.9820	0.000	1	109.8257	0.824	7	110.1677	4.864	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	111.4100	1.553	2	111.4100	2.411	2	110.1420	3.925	4	110.1420	3.925	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	110.0850	0.000	1	110.0850	0.000	1	110.1420	3.925	4	110.1420	3.925	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	107.6630	0.000	1	107.6630	0.000	1	110.1420	3.925	4	110.1420	3.925	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,3|H<1>,5|C<4>}	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2{2|H<1>,2|O<2>,5|C<4>}	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	111.7510	0.000	2	111.7510	0.000	2	111.7510	0.000	2	111.5393	0.134	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	111.5393	0.134	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6]){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:2:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	110.5190	0.000	1	110.5190	0.000	1	110.3250	0.075	2	110.3250	0.075	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:2:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	110.1310	0.000	1	110.1310	0.000	1	110.3250	0.075	2	110.3250	0.075	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:4:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	111.4870	0.000	2	111.4065	0.009	4	111.4065	0.009	4	111.4065	0.009	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:4:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	111.3260	0.000	2	111.4065	0.009	4	111.4065	0.009	4	111.4065	0.009	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:2:4:1:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	109.2853	0.536	3	109.2853	0.288	3	109.2853	0.288	3	109.2853	0.288	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<3>}	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:3:2:1:	3:4:2:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	108.3985	0.308	2	108.3985	0.095	2	108.3985	0.095	2	108.3985	0.095	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:3:3:1:	4:4:1:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-4:S[5]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)2(S[5]C[5]OO)(C[5]C[5]H){6|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:3:4:4:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,3|H<1>,6|C<4>}	106.5650	0.000	1	107.8735	3.424	2	107.8735	3.424	2	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|H<1>,5|C<4>}	109.1820	0.000	1	107.8735	3.424	2	107.8735	3.424	2	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|N<2>,3|C<4>,5|H<1>}	110.3880	0.000	1	110.3880	0.000	1	109.8833	0.217	4	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	109.9335	0.153	2	109.9335	0.024	2	109.8833	0.217	4	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|O<1>,3|C<4>,6|H<1>}	109.2780	0.000	1	109.2780	0.000	1	109.8833	0.217	4	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,5|H<1>}	110.2050	0.000	1	110.2050	0.000	1	109.7093	0.204	3	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.4615	0.200	2	109.4615	0.040	2	109.7093	0.204	3	109.0595	1.573	11	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,6|H<1>}	107.6523	0.495	7	107.6523	0.245	7	107.6523	0.245	7	107.6523	0.245	7	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H){1|O<1>,3|C<4>,6|H<1>}	109.7630	0.000	1	109.7630	0.000	1	110.1040	0.233	2	110.1040	0.233	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	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>}	110.4450	0.000	1	110.4450	0.000	1	110.1040	0.233	2	110.1040	0.233	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6]HH)2(N[5]C[5]H)	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6]HH)2(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2{1|O<1>,4|H<1>,5|C<4>}	109.0560	0.117	2	109.0560	0.014	2	109.0560	0.014	2	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C)	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	109.7880	0.047	2	109.7880	0.002	2	109.7880	0.002	2	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	108.5180	0.000	1	108.5180	0.000	1	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	110.0750	0.000	1	110.0750	0.000	1	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	109.5140	0.000	1	109.5140	0.000	1	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.0940	0.000	1	110.0940	0.000	1	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|As<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|As<2>,1|N<3>,2|C<4>,6|H<1>}	108.6135	0.196	2	108.6135	0.038	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<2>,1|N<3>,2|C<4>,6|H<1>}	107.4700	0.000	1	108.0670	0.713	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<3>,1|N<3>,2|C<4>,6|H<1>}	108.6640	0.000	1	108.0670	0.713	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	108.8142	1.111	6	108.8142	1.235	6	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	109.1390	0.000	1	109.1390	0.000	1	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	108.8383	1.047	3	108.8383	1.096	3	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,7|H<1>}	110.2275	1.138	2	110.2275	1.294	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<4>,6|H<1>}	108.2530	0.000	1	108.0805	0.060	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	107.9080	0.000	1	108.0805	0.060	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	107.8480	0.000	1	108.8330	1.940	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	109.8180	0.000	1	108.8330	1.940	2	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	108.5487	0.247	4	108.6456	0.093	5	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,6|H<1>}	109.0330	0.000	1	108.6456	0.093	5	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|C<4>,6|H<1>}	110.2660	0.000	1	110.2660	0.000	1	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<2>,1|N<3>,2|C<4>,6|H<1>}	109.4615	0.647	2	108.7115	1.434	4	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	107.9615	1.278	2	108.7115	1.434	4	108.9036	0.887	34	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	108.8353	0.833	3	108.4382	1.093	4	109.0745	1.300	8	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,4|H<1>,5|C<4>}	107.2470	0.000	1	108.4382	1.093	4	109.0745	1.300	8	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,7|H<1>}	109.4140	0.000	1	109.4140	0.000	1	109.0745	1.300	8	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|F<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	111.0910	0.000	1	111.0910	0.000	1	109.0745	1.300	8	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>,5|H<1>}	109.1440	0.000	1	109.1440	0.000	1	109.0745	1.300	8	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	109.1940	0.000	1	109.1940	0.000	1	109.0745	1.300	8	108.9935	0.856	48	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	108.7857	0.856	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H){4|C<4>,6|H<1>}	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	108.7857	0.856	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	108.7857	0.856	3	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,6|H<1>}	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>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	107.2075	0.243	2	107.2075	0.059	2	108.2099	0.853	10	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|H<1>}	107.9445	0.728	4	108.0118	0.420	5	108.2099	0.853	10	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	108.2810	0.000	1	108.0118	0.420	5	108.2099	0.853	10	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,1|S<4>,6|H<1>}	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>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	109.9110	0.000	1	109.9110	0.000	1	108.2099	0.853	10	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ga<4>,1|N<3>,3|C<4>,5|H<1>}	108.8500	0.000	1	108.8500	0.000	1	108.2099	0.853	10	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ni<4>,1|N<3>,3|C<4>,5|H<1>}	108.8640	0.000	1	108.8640	0.000	1	108.2099	0.853	10	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.5288	0.176	4	110.3395	0.102	12	109.9493	0.829	16	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	110.0795	0.319	2	110.3395	0.102	12	109.9493	0.829	16	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	110.3000	0.357	6	110.3395	0.102	12	109.9493	0.829	16	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.3920	0.000	1	109.5630	1.374	2	109.9493	0.829	16	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	108.7340	0.000	1	109.5630	1.374	2	109.9493	0.829	16	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	107.9940	0.412	2	107.9940	0.169	2	109.9493	0.829	16	109.2803	1.549	26	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:3:	4:4:4:4:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	3:4:2:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>,5|H<1>}	107.3390	0.639	2	107.3390	0.409	2	107.3390	0.409	2	107.3390	0.409	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6](C[5]C[5,6]HH)2(C[6]O[6]HH)2	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2	C[5,6](C[5]C[5,6]HH)2(C[6]O[6]HH)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2{1|O<2>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2{1|O<2>,3|C<3>,7|H<1>}	106.7355	0.411	2	106.7355	0.169	2	106.7355	0.169	2	106.7355	0.169	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	107.3560	0.117	2	107.3560	0.014	2	107.3560	0.014	2	107.3560	0.014	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,2|O<2>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	3:4:2:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2{2|C<4>,3|C<3>,8|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5,6]C[6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2	C[5,6](C[3,5]C[3,5,6]C[6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,7|H<1>}	107.8040	0.000	1	107.8040	0.000	1	107.8040	0.000	1	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	109.6190	0.153	3	109.6190	0.023	3	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	110.2580	0.000	1	110.2580	0.000	1	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	109.0200	0.000	1	109.6203	0.170	6	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	109.8217	0.309	4	109.6203	0.170	6	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	109.4150	0.000	1	109.6203	0.170	6	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	110.4530	0.000	1	110.4530	0.000	1	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,6|H<1>}	109.4040	0.000	1	109.4040	0.000	1	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	107.7170	0.000	1	107.7170	0.000	1	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	109.5307	0.110	3	109.5307	0.012	3	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,7|H<1>}	108.2810	0.000	1	108.2810	0.000	1	109.4873	0.451	17	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	N[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|N<4>,1|S<2>,2|C<4>,7|H<1>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH){1|C<4>,2|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2{3|C<4>,8|H<1>}	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	109.4483	0.942	22	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	106.2020	0.000	1	106.7410	0.581	2	106.7410	0.581	2	106.4292	0.687	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	107.2800	0.000	1	106.7410	0.581	2	106.7410	0.581	2	106.4292	0.687	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	105.7830	0.832	2	105.7830	0.691	2	105.7830	0.691	2	106.4292	0.687	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	106.4292	0.687	5	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	108.7600	0.379	2	108.7600	0.144	2	108.7600	0.144	2	108.7600	0.144	2	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2{1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){2|C<4>,2|N<3>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{2|N<3>,3|C<4>,6|H<1>}	109.3150	0.000	1	109.3150	0.000	1	108.5727	0.892	4	108.5727	0.892	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|P<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|P<3>,3|C<4>,6|H<1>}	108.0810	1.259	2	108.0810	1.584	2	108.5727	0.892	4	108.5727	0.892	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.8140	0.000	1	108.8140	0.000	1	108.5727	0.892	4	108.5727	0.892	4	110.2755	2.907	663	110.1858	4.490	1054
474	466	466	6:SP3_SP3_SP3	C[5,6]	C[6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2{1|C<3>,1|C<4>,7|H<1>}	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>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,6|H<1>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	110.2755	2.907	663	110.1858	4.490	1054