466	466	961	0:SP3_SP3_SP3	C[6,6]	C[6]	S[6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	114.3000	0.238	2	114.3000	0.056	2	114.3000	0.056	2	114.3000	0.056	2	109.5358	13.519	14	109.5358	13.519	14
466	466	961	0:SP3_SP3_SP3	C[6,6]	C[6]	S[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:S[6]-4:S[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2{1|N<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{2|H<1>,3|C<4>,5|O<1>}	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2{2|O<1>,4|H<1>,5|C<4>}	108.8161	3.353	8	108.7418	11.157	12	108.7418	11.157	12	108.7418	11.157	12	109.5358	13.519	14	109.5358	13.519	14
466	466	961	0:SP3_SP3_SP3	C[6,6]	C[6]	S[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:S[6]-4:S[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2{1|N<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{3|C<4>,3|H<1>,4|O<1>}	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2{2|O<1>,4|H<1>,5|C<4>}	108.5930	3.825	4	108.7418	11.157	12	108.7418	11.157	12	108.7418	11.157	12	109.5358	13.519	14	109.5358	13.519	14
466	466	961	6:SP3_SP3_SP3	C[6,6]	C[6,6]	S[6]	4:4:3:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:S[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O-1:O-1:	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H)	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2{1|C<3>,2|C<4>,4|H<1>}	112.6675	0.763	2	112.6675	0.582	2	112.6675	0.582	2	112.6675	0.582	2	110.6075	5.853	4	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6,6]	C[6,6]	S[6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	108.5475	0.043	2	108.5475	0.002	2	108.5475	0.002	2	108.5475	0.002	2	110.6075	5.853	4	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6,6]	S[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2{1|C<4>,1|N<3>,3|H<1>}	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	116.2709	6.121	14	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6,6]	S[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	S[6](C[6]C[6,6]HH)2(O)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	S[6](C[6]C[6,6]HH)2(O)2{2|H<1>,3|C<4>}	117.6430	0.962	2	117.6430	0.925	2	117.1123	1.050	6	117.1123	1.050	6	116.2709	6.121	14	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6,6]	S[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	S[6](C[6]C[6,6]HH)2(O)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	S[6](C[6]C[6,6]HH)2(O)2{2|H<1>,3|C<4>}	117.7220	0.645	2	117.7220	0.416	2	117.1123	1.050	6	117.1123	1.050	6	116.2709	6.121	14	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6,6]	S[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	S[6](C[6]C[6,6]HH)2(O)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	S[6](C[6]C[6,6]HH)2(O)2{2|H<1>,3|C<4>}	115.9720	0.031	2	115.9720	0.001	2	117.1123	1.050	6	117.1123	1.050	6	116.2709	6.121	14	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6,6]	S[6]	4:4:1:1:	4:4:4:4:	4:4:1:1:	S[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2	C[6,6](C[6]S[6]HH)4	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2{2|C<4>,3|S<4>,6|H<1>}	C[6,6](C[6]S[6]HH)4{2|C<4>,8|O<1>}	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2{2|O<1>,4|H<1>,5|C<4>}	117.2552	0.782	6	117.2552	0.612	6	117.2552	0.612	6	117.2552	0.612	6	116.2709	6.121	14	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6,6]	S[6]	4:4:3:1:	3:3:4:1:	3:4:1:1:	C[6,6]-4:S[6]-4:C-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H){2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	116.2709	6.121	14	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	3:4:4:1:	4:3:3:1:	4:2:1:1:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H){1|O<2>,2|O<1>,5|C<3>}	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2{1|H<1>,1|N<3>,4|C<3>}	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:3:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[6a]-3:S[6]-4:H-1:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:O-1:O-1:	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2{1|H<1>,1|N<3>,4|C<3>}	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:3:4:1:	4:3:1:1:	3:4:1:1:	S[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2{2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2{3|H<1>,5|C<3>}	107.3420	0.670	2	107.3420	0.449	2	107.3420	0.449	2	107.3420	0.449	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:3:4:1:	2:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	O[6]-2:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2{1|H<1>,3|C<3>}	109.2170	1.068	4	109.2170	1.140	4	109.2170	1.140	4	109.2170	1.140	4	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:1:1:	3:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|N<3>,1|O<2>,2|O<1>,4|H<1>}	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2{1|N<3>,1|O<2>,6|H<1>}	111.2410	0.000	1	111.5207	0.059	3	111.5207	0.059	3	111.5207	0.059	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:1:1:	3:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2{2|N<3>,6|H<1>}	111.6605	0.040	2	111.5207	0.059	3	111.5207	0.059	3	111.5207	0.059	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.0147	0.608	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|O<1>,3|C<4>,3|H<1>}	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2{1|C<4>,1|N<3>,3|H<1>}	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	111.0147	0.608	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	111.0147	0.608	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:3:1:	3:2:4:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,3|H<1>,4|C<3>}	106.4910	0.000	1	106.4910	0.000	1	106.4910	0.000	1	106.4910	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:4:1:	3:2:4:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	107.0700	0.000	1	107.0700	0.000	1	106.6777	1.428	6	106.6777	1.428	6	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:4:1:	3:2:4:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	106.0507	0.559	4	106.0507	0.313	4	106.6777	1.428	6	106.6777	1.428	6	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	3:4:4:1:	3:2:4:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	108.7930	0.000	1	108.7930	0.000	1	106.6777	1.428	6	106.6777	1.428	6	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:2:1:1:	4:3:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:O-1:O-1:	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2{2|C<3>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<1>}	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2{1|C<4>,1|O<2>,2|H<1>}	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:2:1:1:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2{2|O<1>,3|C<4>}	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2{2|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	110.3293	0.138	4	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:2:1:1:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.3293	0.138	4	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:2:1:1:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	110.6475	0.039	2	110.6475	0.002	2	110.6475	0.002	2	110.3293	0.138	4	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:2:4:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,3|O<1>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,3|H<1>}	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:3:4:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	S[6](C[6]C[6]HH)2(O)2{1|C<3>,1|C<4>,2|H<1>}	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	3:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2{2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2{1|C<4>,2|C<3>,3|H<1>}	110.4440	0.841	2	110.4440	0.708	2	110.4440	0.708	2	110.4440	0.708	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:2:1:1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:N[6]-2:O-1:O-1:	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2	C[6](C[6]S[6]FF)2(F)2	S[6](C[6]C[6]FF)(N[6]S[6])(O)2	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2{1|S<4>,2|F<1>}	C[6](C[6]S[6]FF)2(F)2{1|N<2>,4|O<1>}	S[6](C[6]C[6]FF)(N[6]S[6])(O)2{1|C<4>,2|F<1>,2|O<1>}	113.9905	0.491	4	113.9905	0.241	4	113.9905	0.241	4	113.9905	0.241	4	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:2:4:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:O-1:	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O)	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,2|O<1>}	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O){1|C<4>,1|O<1>,2|H<1>}	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:3:1:1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-3:O-1:O-1:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	C[6](C[6]S[6]FF)2(F)2	S[6](C[6]C[6]FF)(C[6]S[6]C)(O)2	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{1|C<4>,1|S<4>,2|F<1>}	C[6](C[6]S[6]FF)2(F)2{1|C<3>,4|O<1>}	S[6](C[6]C[6]FF)(C[6]S[6]C)(O)2{1|C<4>,2|F<1>,2|O<1>}	115.1260	0.024	2	115.1260	0.001	2	115.1260	0.001	2	113.3620	9.335	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:3:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2{1|N<3>,2|H<1>,2|O<1>}	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2{1|C<4>,4|H<1>}	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	113.3620	9.335	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	C[6](C[6]S[6]FF)2(F)2	S[6](C[6]S[6]Br2)(C[6]C[6]FF)(O)2	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{2|Br<1>,1|S<4>,2|F<1>}	C[6](C[6]S[6]FF)2(F)2{1|C<4>,4|O<1>}	S[6](C[6]S[6]Br2)(C[6]C[6]FF)(O)2{1|C<4>,2|F<1>,2|O<1>}	115.9620	1.044	2	115.9620	1.089	2	115.9620	1.089	2	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2{1|O<2>,2|C<4>,2|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>}	S[6](C[6]C[6]HH)2(O)2{1|C<4>,4|H<1>}	111.4840	1.253	2	111.4840	1.570	2	111.4840	1.570	2	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	S[6](C[6]C[6]HH)2(O)2{1|C<4>,4|H<1>}	111.2655	0.213	2	111.2655	0.045	2	111.2655	0.045	2	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2{1|N<4>,2|C<4>,2|O<1>}	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2{1|N<4>,2|C<4>,2|H<1>}	109.4190	0.000	1	109.4190	0.000	1	111.0423	1.144	6	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	110.7180	0.612	2	110.7180	0.375	2	111.0423	1.144	6	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,3|O<1>}	S[6](C[6]C[6]HH)2(O)2{1|C<4>,1|O<1>,2|H<1>}	111.1180	0.000	1	111.1180	0.000	1	111.0423	1.144	6	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)2(H)2	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|S<4>,4|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,4|O<1>}	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2{1|C<4>,2|H<1>,2|O<1>}	112.1405	0.289	2	112.1405	0.084	2	111.0423	1.144	6	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<1>}	S[6](C[6]C[6]HH)2(O)2{1|S<4>,4|H<1>}	111.9197	0.174	3	111.9197	0.030	3	111.9197	0.030	3	111.9624	3.357	15	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2	S[6](C[6]C[6]HH)2(NS)(O)	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>}	S[6](C[6]C[6]HH)2(NS)(O){1|C<4>,4|H<1>}	111.8105	0.469	2	111.8105	0.220	2	111.8105	0.220	2	111.8105	0.220	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:2:1:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:N-1:O-1:	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O)	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|N<1>,1|O<1>,2|C<3>,4|H<1>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O){1|C<4>,1|O<2>,3|H<1>}	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:1:1:	4:4:4:2:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[4,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	117.0737	0.782	3	117.0737	0.611	3	117.0737	0.611	3	117.0737	0.611	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:3:4:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){1|H<1>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	110.1590	0.675	2	110.1590	0.455	2	110.1590	0.455	2	112.1814	3.686	5	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:3:4:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H){3|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.9120	0.000	1	112.9120	0.000	1	113.5297	0.328	3	112.1814	3.686	5	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:3:4:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){3|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.8385	0.288	2	113.8385	0.083	2	113.5297	0.328	3	112.1814	3.686	5	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:4:3:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	109.5850	0.000	1	109.5850	0.000	1	110.1646	0.802	7	110.1646	0.802	7	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:4:3:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,3|H<1>}	110.4290	0.000	1	110.4290	0.000	1	110.1646	0.802	7	110.1646	0.802	7	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:4:3:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	108.8570	0.000	1	108.8570	0.000	1	110.1646	0.802	7	110.1646	0.802	7	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:4:3:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	110.5703	0.825	4	110.5703	0.680	4	110.1646	0.802	7	110.1646	0.802	7	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:4:4:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	111.3360	0.000	1	111.3360	0.000	1	111.0915	0.120	2	111.0915	0.120	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:3:1:	3:4:4:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	110.8470	0.000	1	110.8470	0.000	1	111.0915	0.120	2	111.0915	0.120	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:4:1:	3:4:3:1:	3:2:4:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O){3|H<1>,5|C<3>}	104.0617	1.666	3	104.0617	2.776	3	104.0617	2.776	3	104.0617	2.776	3	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-1:O-1:	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O)	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|H<1>,1|N<1>,1|O<1>,2|C<4>}	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O){1|C<4>,1|O<2>,3|H<1>}	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:4:1:	4:4:1:1:	3:4:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	108.5290	0.000	1	107.9645	0.637	2	107.9645	0.637	2	107.9645	0.637	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:4:1:	4:4:1:1:	3:4:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,1|S<2>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	107.4000	0.000	1	107.9645	0.637	2	107.9645	0.637	2	107.9645	0.637	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>,2|O<1>}	S[6](C[6]C[6]CH)2(O)2{1|C<4>,4|H<1>}	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:S[6]-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6]OO)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	S[6](C[6]C[5]2C[6])(C[6]C[6]HH)(O)2	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6]OO){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,2|O<1>,6|C<4>}	S[6](C[6]C[5]2C[6])(C[6]C[6]HH)(O)2{2|Fe<10>,1|C<3>,2|H<1>,5|C<4>}	105.1030	0.249	2	105.1030	0.062	2	105.1030	0.062	2	105.1030	0.062	2	110.4450	8.920	84	111.2510	12.342	102
466	466	961	6:SP3_SP3_SP3	C[6]	C[6]	S[6]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:S[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	S[6](C[6]C[6]CC)(N[6]C[6])(O)2	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{1|C<3>,1|N<2>,2|O<1>}	S[6](C[6]C[6]CC)(N[6]C[6])(O)2{1|C<3>,1|C<4>,2|H<1>}	105.2140	0.000	1	105.2140	0.000	1	105.2140	0.000	1	105.2140	0.000	1	110.4450	8.920	84	111.2510	12.342	102
466	466	965	6:SP3_SP1_SP3	C[6]	C[6]	Si[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:Si[6]-2:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si[6]-3:	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]Si2)(Si[6]C[6]Si)	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>}	Si[6](C[6]C[6]Si2)(Si[6]C[6]Si){2|Si<4>,1|C<4>,2|H<1>}	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1
466	466	975	6:SP3_SP3_SP3	C[6,6]	C[6]	Se[6,6]	2:4:4:1:	4:4:1:1:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	Se[6,6](C[6,6]C[6]2H)2{2|Br<1>,2|C<4>,6|H<1>}	105.5158	2.897	5	105.5158	8.394	5	105.5158	8.394	5	106.9985	7.966	20	106.9985	7.966	20	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6,6]	C[6]	Se[6,6]	2:4:4:1:	4:4:1:1:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){2|C<4>,4|H<1>}	Se[6,6](C[6,6]C[6]2H)2{2|Cl<1>,2|C<4>,6|H<1>}	105.7355	3.956	2	105.7355	15.652	2	105.7355	15.652	2	106.9985	7.966	20	106.9985	7.966	20	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6,6]	C[6]	Se[6,6]	2:4:4:1:	4:4:1:1:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	Se[6,6](C[6,6]C[6]2H)2{2|Br<1>,2|C<4>,6|H<1>}	108.1072	2.459	5	108.1072	6.048	5	108.4624	5.517	10	106.9985	7.966	20	106.9985	7.966	20	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6,6]	C[6]	Se[6,6]	2:4:4:1:	4:4:1:1:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	Se[6,6](C[6,6]C[6]2H)2{2|Cl<1>,2|C<4>,6|H<1>}	108.6625	3.408	2	108.6625	11.611	2	108.4624	5.517	10	106.9985	7.966	20	106.9985	7.966	20	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6,6]	C[6]	Se[6,6]	2:4:4:1:	4:4:1:1:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|I<1>}	Se[6,6](C[6,6]C[6]2H)2{2|C<4>,2|I<1>,6|H<1>}	108.9210	2.501	3	108.9210	6.254	3	108.4624	5.517	10	106.9985	7.966	20	106.9985	7.966	20	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6,6]	C[6]	Se[6,6]	2:4:4:1:	4:4:1:1:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	Se[6,6](C[6,6]C[6]2H)2{2|C<4>,2|I<1>,6|H<1>}	105.4317	2.178	3	105.4317	4.743	3	105.4317	4.743	3	106.9985	7.966	20	106.9985	7.966	20	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	108.6375	0.227	2	108.6375	0.052	2	108.6375	0.052	2	108.6375	0.052	2	118.0894	28.769	70	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	4:2:1:1:	4:2:1:1:	3:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	Se[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|C<3>,1|S<2>}	Se[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|S<2>,2|H<1>}	119.7541	4.782	52	119.7541	22.864	52	119.6859	22.273	56	119.6859	22.273	56	118.0894	28.769	70	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	4:2:1:1:	4:2:1:1:	3:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	Se[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	Se[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){2|Se<2>,1|C<3>,2|H<1>}	118.7987	4.303	4	118.7987	18.516	4	119.6859	22.273	56	119.6859	22.273	56	118.0894	28.769	70	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	4:2:1:1:	4:2:1:1:	4:3:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2	Se[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|S<2>}	Se[6](C[6]C[6]HH)(C[6]C[6]S){1|Se<2>,1|S<2>,2|H<1>}	113.0410	2.642	2	113.0410	6.979	2	113.0410	6.979	2	113.0410	6.979	2	118.0894	28.769	70	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	4:2:1:1:	4:3:1:1:	4:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	Se[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	Se[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	111.3585	1.658	4	111.3585	2.748	4	111.3838	1.707	6	111.3838	1.707	6	118.0894	28.769	70	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	4:2:1:1:	4:3:1:1:	4:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	Se[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	Se[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	111.4345	0.534	2	111.4345	0.285	2	111.3838	1.707	6	111.3838	1.707	6	118.0894	28.769	70	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	C[6](C[6]Se[6]CH)2(H)2	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Se[6]CH)2(H)2{1|C<4>}	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	113.3595	0.359	2	113.3595	0.129	2	113.3595	0.129	2	113.3595	0.129	2	118.0894	28.769	70	115.6248	45.505	90
466	466	975	6:SP3_SP3_SP3	C[6]	C[6]	Se[6]	4:2:4:1:	4:4:3:1:	4:2:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:Se[6]-2:	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	Se[6](C[6]C[6]CH)(Se[6]C[6])	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	Se[6](C[6]C[6]CH)(Se[6]C[6]){1|N<3>,2|C<4>,2|H<1>}	112.7365	0.405	2	112.7365	0.164	2	112.7365	0.164	2	112.7365	0.164	2	118.0894	28.769	70	115.6248	45.505	90
466	466	979	0:SP3_SP2_SP3	C[6]	C[6]	Si	3:4:3:1:	4:3:1:1:	4:4:4:	C[6]-3:C[6]-4:Si-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	Si(C[6]C[6]2H)(CCHH)2	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	112.8586	9.671	7	112.8586	9.671	7
466	466	979	0:SP3_SP2_SP3	C[6]	C[6]	Si	4:4:3:1:	3:4:1:1:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Si(C[6]C[6]2H)(CCHH)2	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	112.8586	9.671	7	112.8586	9.671	7
466	466	979	0:SP3_SP2_SP3	C[6]	C[6]	Si	4:4:3:1:	3:4:4:1:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H){2|C<3>,2|H<1>}	Si(C[6]C[6]2H)(CCHH)2	115.2890	0.000	1	115.2890	0.000	1	115.2890	0.000	1	115.2890	0.000	1	112.8586	9.671	7	112.8586	9.671	7
466	466	979	0:SP3_SP2_SP3	C[6]	C[6]	Si	4:4:3:1:	4:3:1:1:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	Si(C[6]C[6]2H)(CCHH)2	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.6633	1.798	3	112.8586	9.671	7	112.8586	9.671	7
466	466	979	0:SP3_SP2_SP3	C[6]	C[6]	Si	4:4:3:1:	4:3:1:1:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	Si(C[6]C[6]2H)(CCHH)2	111.5110	0.000	1	111.5110	0.000	1	112.8230	3.443	2	112.6633	1.798	3	112.8586	9.671	7	112.8586	9.671	7
466	466	979	0:SP3_SP2_SP3	C[6]	C[6]	Si	4:4:3:1:	4:3:1:1:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	Si(C[6]C[6]2H)(CCHH)2	114.1350	0.000	1	114.1350	0.000	1	112.8230	3.443	2	112.6633	1.798	3	112.8586	9.671	7	112.8586	9.671	7
466	466	979	0:SP3_SP2_SP3	C[6]	C[6]	Si	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	Si(C[6]C[6]2H)(CCHH)2	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	112.8586	9.671	7	112.8586	9.671	7
466	466	980	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N[4]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[3x6]-4:C[3x6]-4:N[4]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:Ga[4]-4:Ga[4]-4:N[6]-3:	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H)	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H)	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H){1|N<4>,8|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H){2|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2){1|N<3>,6|H<1>,7|C<4>}	117.2548	0.829	8	117.2548	0.687	8	117.2548	0.687	8	117.2548	0.687	8	117.2548	0.687	8	116.0506	6.979	10
466	466	980	0:SP3_SP3_SP3	C[6]	C[6]	N[4,5]	4:4:4:1:	4:4:1:1:	4:4:4:3:	N[4,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Ga[4,5]-4:Ga[4,5]-4:C[6]-4:C[5]-3:	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H)	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H)	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|N<3>,5|H<1>}	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,5|C<4>,5|H<1>}	111.2340	0.027	2	111.2340	0.001	2	111.2340	0.001	2	111.2340	0.001	2	111.2340	0.001	2	116.0506	6.979	10
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,4,6]	4:4:1:1:	4:2:1:1:	4:3:4:4:	N[4,4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3x4]-4:C[3x4]-3:C[6]-4:C[6]-4:	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2	N[4,4,6](C[3x4]C[3,3,4,4]H[4,4]H)(C[3x4]C[3,3,4,4]H[4,4])(C[6]C[6]HH)2	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|C<6>,1|H<2>,3|H<1>}	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	N[4,4,6](C[3x4]C[3,3,4,4]H[4,4]H)(C[3x4]C[3,3,4,4]H[4,4])(C[6]C[6]HH)2{1|C<4>,1|H<2>,1|O<2>,2|O<3>,4|H<1>}	110.8640	0.550	2	110.8640	0.303	2	110.8640	0.303	2	110.8640	0.303	2	110.8640	0.303	2	112.8609	1.165	18
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6,6]-4:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2{1|B<4>,2|C<4>,2|H<1>}	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<4>,5|C<3>,8|H<1>}	113.0060	0.102	2	113.0060	0.010	2	113.0060	0.010	2	113.0060	0.010	2	113.1106	0.702	16	112.8609	1.165	18
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-3:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	N[4,6](C[4,5]C[4,5]C[5])(B[4]C[4,5]FF)(C[6]C[6]HH)2	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[4,6](C[4,5]C[4,5]C[5])(B[4]C[4,5]FF)(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	112.1295	0.156	2	112.1295	0.024	2	112.1295	0.024	2	112.1295	0.024	2	113.1106	0.702	16	112.8609	1.165	18
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[4]-4:C[6]-4:C[6]-4:C[4]-3:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B)	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.0378	0.606	4	113.0378	0.367	4	113.0378	0.367	4	113.0378	0.367	4	113.1106	0.702	16	112.8609	1.165	18
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[4]-4:C[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2{3|C<4>,4|H<1>,6|C<3>}	114.0845	0.381	2	114.0845	0.145	2	114.0845	0.145	2	113.4184	0.952	8	113.1106	0.702	16	112.8609	1.165	18
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{4|C<4>,5|C<3>,8|H<1>}	114.1280	0.236	2	114.1280	0.056	2	114.1280	0.056	2	113.4184	0.952	8	113.1106	0.702	16	112.8609	1.165	18
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{3|C<4>,4|C<3>,7|H<1>}	113.5235	0.272	2	113.5235	0.074	2	113.5235	0.074	2	113.4184	0.952	8	113.1106	0.702	16	112.8609	1.165	18
466	466	980	6:SP3_SP3_SP3	C[6]	C[6]	N[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,8|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<4>,2|H<1>}	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2{3|C<4>,4|H<1>}	111.9375	0.293	2	111.9375	0.086	2	111.9375	0.086	2	113.4184	0.952	8	113.1106	0.702	16	112.8609	1.165	18
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[3x6]	C	4:4:3:2:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-2:	C[3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:N-1:	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H)	C(C[3x6]C[3x6]2C[6])(N)	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN){1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(C[3x6]C[3x6]2C[6])(N)	109.7850	0.322	2	109.7850	0.104	2	109.7850	0.104	2	109.7850	0.104	2	109.5577	1.372	7	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[3x6]	C	4:4:3:2:	4:4:3:1:	4:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N-1:	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C(C[3x6]C[3x6]2C[6])(N)	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN){1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[3x6]C[3x6]2C[6])(N)	108.1735	0.513	2	108.1735	0.263	2	108.1735	0.263	2	108.1735	0.263	2	109.5577	1.372	7	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[3x6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:N-1:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(N)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(N)	109.7320	0.076	2	109.7320	0.006	2	110.3290	1.072	3	110.3290	1.072	3	109.5577	1.372	7	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[3x6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:N-1:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(N)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(N)	111.5230	0.000	1	111.5230	0.000	1	110.3290	1.072	3	110.3290	1.072	3	109.5577	1.372	7	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	3:4:4:2:	4:4:3:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:N-1:	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[3x6]C[6,6]3)(N)	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C(C[3x6]C[6,6]3)(N)	109.5690	0.000	1	109.0835	0.471	2	109.0835	0.471	2	109.0835	0.471	2	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	3:4:4:2:	4:4:3:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:N-1:	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[3x6]C[6,6]3)(N)	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(N)	108.5980	0.000	1	109.0835	0.471	2	109.0835	0.471	2	109.0835	0.471	2	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:3:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:N-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C(C[3x6]C[6,6]3)(N)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN){1|C<2>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C(C[3x6]C[6,6]3)(N)	111.3000	0.014	2	111.3000	0.000	2	111.3000	0.000	2	111.3000	0.000	2	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:3:2:	4:3:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:N-1:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(N)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]C[6])(N)	109.3795	0.394	2	109.3795	0.155	2	109.7167	0.419	3	109.7167	0.419	3	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:3:2:	4:3:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:N-1:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(N)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,2|O<1>,3|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]C[6])(N)	110.3910	0.000	1	110.3910	0.000	1	109.7167	0.419	3	109.7167	0.419	3	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:3:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-2:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:N-1:	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[3x6]C[6,6]3)(N)	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN){1|C<2>,1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|N<3>,3|H<1>}	C(C[3x6]C[6,6]3)(N)	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:N-1:	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[3x6]C[6,6]3)(N)	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN){1|C<2>,1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C(C[3x6]C[6,6]3)(N)	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[6a])	C[3x6](C[6,6]C[3x6]HH)3(CC){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a])	110.5162	1.238	4	110.1372	1.553	30	110.0643	1.288	44	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[6a])	C[3x6](C[6,6]C[3x6]HH)3(CC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a])	110.0788	1.261	26	110.1372	1.553	30	110.0643	1.288	44	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CH)	C[3x6](C[6,6]C[3x6]HH)3(CC){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CH)	110.6287	0.435	4	110.6287	0.189	4	110.0643	1.288	44	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(CC[6a])	C[3x6](C[6,6]C[3x6]HH)3(CC){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a])	108.8905	1.269	2	109.7626	0.790	8	110.0643	1.288	44	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(CC[6a])	C[3x6](C[6,6]C[3x6]HH)3(CC){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a])	110.0533	0.615	6	109.7626	0.790	8	110.0643	1.288	44	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(CH)	C[3x6](C[6,6]C[3x6]HH)3(CC){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CH)	109.0480	0.023	2	109.0480	0.001	2	110.0643	1.288	44	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-2:	C[3x6](C[6,6]C[3x6]HH)3(CN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(NMo)	C[3x6](C[6,6]C[3x6]HH)3(CN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(NMo)	109.3682	0.366	6	109.3682	0.134	6	109.3682	0.134	6	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[4x6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2	C(C[3x6]C[6,6]3)(CH)	C[3x6](C[6,6]C[4x6]HH)3(CC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C(C[3x6]C[6,6]3)(CH)	110.6777	0.976	3	110.6777	0.952	3	110.6777	0.952	3	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[6,6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CC)	C[3x6](C[6,6]C[6,6]HH)3(CC){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CC)	110.0696	1.967	9	110.0696	3.868	9	110.4790	1.410	53	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[6,6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CC[6])	C[3x6](C[6,6]C[6,6]HH)3(CC){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CC[6])	110.2070	1.385	3	110.2070	1.919	3	110.4790	1.410	53	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[6,6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CC[6a])	C[3x6](C[6,6]C[6,6]HH)3(CC){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CC[6a])	110.5168	0.811	9	110.5168	0.658	9	110.4790	1.410	53	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[6,6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CH)	C[3x6](C[6,6]C[6,6]HH)3(CC){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CH)	110.6200	0.871	6	110.6200	0.758	6	110.4790	1.410	53	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[6,6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CI)	C[3x6](C[6,6]C[6,6]HH)3(CC){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CI)	110.4895	1.010	23	110.4895	1.019	23	110.4790	1.410	53	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[6,6]HH)3(CC)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CRu)	C[3x6](C[6,6]C[6,6]HH)3(CC){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CRu)	111.5030	1.006	3	111.5030	1.011	3	110.4790	1.410	53	110.2496	1.341	106	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[3x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:	C[3x6](C[6,6]C[3x6]HH)3(CN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(NCu2)	C[3x6](C[6,6]C[3x6]HH)3(CN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(NCu2)	108.8980	2.060	3	108.8980	4.246	3	108.8980	4.246	3	108.8980	4.246	3	110.1926	1.383	118	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[4x6]	C[4x6]	C	4:4:4:2:	4:4:4:1:	4:2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C-2:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC)	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C(C[4x6]C[4x6]2C[6,6])(CH)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	C(C[4x6]C[4x6]2C[6,6])(CH)	110.5747	0.345	4	110.5747	0.119	4	110.5747	0.119	4	110.5747	0.119	4	110.5747	0.119	4	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[4x6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-2:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C-2:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C(C[4x6]C[4x6]2C[6,6])(CH)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C(C[4x6]C[4x6]2C[6,6])(CH)	108.7655	0.449	2	108.7655	0.202	2	108.7655	0.202	2	108.7655	0.202	2	108.7655	0.202	2	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:3:2:1:	4:3:3:1:	4:3:	C[3x6]-4:C[6,6]-3:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C(C[6,6]C[3x6]C[6,6]H)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CHH)	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:3:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]2)(N)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN){1|C<2>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]2)(N)	108.7370	0.318	2	108.7370	0.101	2	108.7370	0.101	2	108.8690	0.103	3	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:3:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-3:C[6]-3:C-2:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(N)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(N)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	108.8690	0.103	3	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	3:3:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N)	110.5235	0.313	2	110.5235	0.098	2	110.5235	0.098	2	110.5235	0.098	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	3:3:4:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N)	109.2750	0.416	2	109.2750	0.173	2	109.2750	0.173	2	109.2750	0.173	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	3:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]Cl)(N)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]Cl)(N)	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:3:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:3:3:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl)	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C(C[6,6]C[3x6]C[6,6]Cl)(N)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]Cl)(N)	108.2669	0.891	11	108.2669	0.793	11	108.2669	0.793	11	108.2669	0.793	11	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:3:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	111.1717	0.870	3	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	110.7290	0.751	2	110.7290	0.564	2	110.7290	0.564	2	111.1717	0.870	3	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:4:3:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	C(C[6,6]C[3x6]C[6,6]Cl)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]Cl)(N)	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	111.6345	4.575	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:4:3:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	111.6345	4.575	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:1:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	3:3:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.0345	1.123	4	109.8208	1.022	8	109.8208	1.022	8	109.8208	1.022	8	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	3:3:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.6070	1.001	4	109.8208	1.022	8	109.8208	1.022	8	109.8208	1.022	8	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-2:O-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC){1|C<4>,2|C<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	108.5245	0.903	2	108.5245	0.815	2	108.5245	0.815	2	108.5245	0.815	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.8685	3.917	2	110.8685	15.340	2	110.8858	6.579	8	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H){2|C<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.4142	1.397	4	110.4142	1.952	4	110.8858	6.579	8	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.8460	4.704	2	111.8460	22.125	2	110.8858	6.579	8	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){2|C<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.5865	2.855	2	109.5865	8.149	2	109.3546	1.980	8	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.6770	0.769	2	109.6770	0.592	2	109.3546	1.980	8	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<2>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	108.5545	0.375	2	109.0775	1.500	4	109.3546	1.980	8	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.6005	1.807	2	109.0775	1.500	4	109.3546	1.980	8	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[5,6,6]-4:C[3x6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[5,6,6]C[3x6]C)(N)	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>}	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[5,6,6]C[3x6]C)(N)	107.9295	0.121	2	107.9295	0.015	2	107.9295	0.015	2	109.8768	4.579	18	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:1:	4:2:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-2:	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[5,5,6,6]C[3x6]O)(CH)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C(C[6,6]C[5,5,6,6]C[3x6]O)(CH)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:2:	4:1:	C[6,6]-4:C[3x6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2{1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	108.9940	0.631	2	108.9940	0.398	2	108.9940	0.398	2	108.9940	0.398	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:3:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.8070	1.971	2	109.8070	3.886	2	109.8070	3.886	2	109.8070	3.886	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.4005	0.134	2	111.4005	0.018	2	110.6581	8.259	22	110.6581	8.259	22	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.9935	7.711	2	111.1287	25.829	6	110.6581	8.259	22	110.6581	8.259	22	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.6962	4.741	4	111.1287	25.829	6	110.6581	8.259	22	110.6581	8.259	22	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.3722	0.802	6	110.3504	3.117	14	110.6581	8.259	22	110.6581	8.259	22	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.0965	4.658	2	110.3504	3.117	14	110.6581	8.259	22	110.6581	8.259	22	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.0798	1.677	6	110.3504	3.117	14	110.6581	8.259	22	110.6581	8.259	22	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2O)(N)	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2O)(N)	109.8130	0.092	2	109.8130	0.008	2	109.8130	0.008	2	109.8130	0.008	2	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:2:2:	4:4:4:4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2{1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.1285	0.898	8	110.1285	0.807	8	110.1285	0.807	8	110.1285	0.807	8	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:3:2:	3:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:N-3:C-2:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]N)(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]N)(N)	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	107.2127	0.013	3	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:3:2:	3:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:N[5]-3:C-2:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]N[5])(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]N[5])(N)	107.1780	0.000	1	107.1780	0.000	1	107.1780	0.000	1	107.2127	0.013	3	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[3x6]	C	4:4:3:2:	3:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:N[6]-3:C-2:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]N[6])(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]N[6])(N)	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	107.2127	0.013	3	109.8587	4.025	97	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[4x6]	C	4:4:2:2:	4:4:3:4:	4:1:	C[4x6]-4:C[6,6]-4:C-2:C-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:N-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(CN)2	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(C[6,6]C[4x6]C[6,6]C)(N)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(CN)2{1|C<3>,3|H<1>,5|C<4>}	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(C[6,6]C[4x6]C[6,6]C)(N)	112.3710	6.931	2	112.3710	48.040	2	112.3710	48.040	2	112.3710	48.040	2	112.3710	48.040	2	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:3:4:2:	4:2:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN)	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(N)	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2	C(C[6,6]C[3x6]C[6,6]Cl)(N)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6,6]C[3x6]C[6,6]Cl)(N)	112.6824	1.567	11	112.6824	2.454	11	112.7027	2.236	12	112.1423	2.321	18	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2	C(C[6,6]C[3x6]C[6,6]Cl)(N)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]Cl)(N)	112.9270	0.000	1	112.9270	0.000	1	112.7027	2.236	12	112.1423	2.321	18	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2	C(C[6,6]C[3x6]C[6,6]Cl)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]Cl)(N)	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	112.1423	2.321	18	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<7>,2|O<2>}	C(C[6,6]C[3x6]C[6,6]H)(N)	109.9260	0.000	1	109.9260	0.000	1	110.8530	0.677	5	112.1423	2.321	18	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	110.4760	0.000	1	110.4760	0.000	1	110.8530	0.677	5	112.1423	2.321	18	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	110.8850	0.407	2	110.8850	0.166	2	110.8530	0.677	5	112.1423	2.321	18	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	C(C[6,6]C[3x6]C[6,6]H)(N)	112.0930	0.000	1	112.0930	0.000	1	110.8530	0.677	5	112.1423	2.321	18	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:2:1:	4:1:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N-1:	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	C(C[6,6]B[3x6]C[6,6]H)(N)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]B[3x6]C[6,6]H)(N)	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	111.3996	3.552	8	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N)	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	111.3996	3.552	8	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N)	113.0230	2.316	2	113.0230	5.366	2	111.0725	4.459	6	111.3996	3.552	8	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N)	110.3595	1.996	2	110.3595	3.985	2	111.0725	4.459	6	111.3996	3.552	8	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	110.6280	0.000	1	110.6280	0.000	1	111.0725	4.459	6	111.3996	3.552	8	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(N)	109.0420	0.000	1	109.0420	0.000	1	111.0725	4.459	6	111.3996	3.552	8	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)2(CN)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C(C[6,6]C[6,6]2H)(N)	C[6,6](C[6,6]C[6]2H)2(CN)(H){1|N<3>,1|S<2>,8|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C(C[6,6]C[6,6]2H)(N)	111.3715	0.073	2	111.3715	0.005	2	111.3715	0.005	2	111.3715	0.005	2	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.2946	1.223	8	110.1410	1.010	16	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.9874	0.785	8	110.1410	1.010	16	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.4055	0.764	2	109.8425	0.524	6	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.0610	0.698	4	109.8425	0.524	6	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.9265	0.191	4	111.8387	1.080	6	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.6630	2.280	2	111.8387	1.080	6	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.4816	1.010	8	110.4816	1.020	8	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	110.1475	1.624	2	110.1475	2.638	2	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.8275	0.803	2	111.8275	0.644	2	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.1835	0.658	2	111.7450	0.645	4	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	112.3065	0.490	2	111.7450	0.645	4	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<2>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.9965	0.303	2	111.9965	0.092	2	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<2>,1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	112.0275	0.723	2	112.0275	0.523	2	110.7328	1.448	48	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[4x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(CN)2	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(CN)2{1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.2270	1.209	2	111.2270	1.462	2	111.2270	1.462	2	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[4x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:N-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(CN)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2	C(C[6,6]C[4x6]C[6,6]C)(N)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(CN)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[4x6]C[6,6]C)(N)	108.6740	0.926	2	108.6740	0.858	2	108.6740	0.858	2	110.6726	1.552	52	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(N)	109.8526	1.778	8	109.8526	3.160	8	109.8526	3.160	8	110.2419	3.408	10	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[6,6]-4:C[3x6]-4:C-2:C-2:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H)	C(C[6,6]C[3x6]C[6,6]C)(N)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(N)	111.7990	1.577	2	111.7990	2.486	2	111.7990	2.486	2	110.2419	3.408	10	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	3:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:N-3:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2	C(C[6,6]C[3x6]C[6,6]N)(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2{2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]N)(N)	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.6500	0.317	3	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:N[5]-3:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2	C(C[6,6]C[3x6]C[6,6]N[5])(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]N[5])(N)	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	109.6500	0.317	3	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:N[6]-3:C-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2	C(C[6,6]C[3x6]C[6,6]N[6])(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]N[6])(N)	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.6500	0.317	3	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:3:1:	4:1:	C[6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N-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)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[5,6]C[6,6]C[6])(N)	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[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(N)	102.6740	0.000	1	102.6740	0.000	1	102.6740	0.000	1	106.5727	11.920	3	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	107.8010	0.000	1	107.8010	0.000	1	108.5220	1.040	2	106.5727	11.920	3	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	109.2430	0.000	1	109.2430	0.000	1	108.5220	1.040	2	106.5727	11.920	3	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:3:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6]-4:N[6]-3:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]N[6])(CH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(CH)	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.7610	0.000	1	108.7610	0.000	1	108.7563	0.002	3	108.8850	1.051	6	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.7540	0.062	2	108.7540	0.004	2	108.7563	0.002	3	108.8850	1.051	6	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	107.2260	0.000	1	107.2260	0.000	1	109.0137	2.575	3	108.8850	1.051	6	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	109.9075	0.598	2	109.9075	0.357	2	109.0137	2.575	3	108.8850	1.051	6	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H){2|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN)	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,2|C<4>,9|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	110.7645	1.880	2	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	110.7645	1.880	2	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN){2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	110.5626	3.421	112	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:3:2:	4:4:1:1:	4:2:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-2:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH)	109.3730	1.025	2	109.3730	1.051	2	109.3730	1.051	2	109.3730	1.051	2	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:3:2:	4:4:4:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.2580	0.000	2	108.2580	0.000	2	108.2580	0.000	2	108.2580	0.000	2	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.2510	3.329	2	108.2510	11.083	2	108.2986	5.640	7	108.2986	5.640	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	109.0635	4.002	2	109.0635	16.012	2	108.2986	5.640	7	108.2986	5.640	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(N)	107.3460	0.000	1	107.3460	0.000	1	108.2986	5.640	7	108.2986	5.640	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	106.5500	0.000	1	108.0575	4.545	2	108.2986	5.640	7	108.2986	5.640	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	109.5650	0.000	1	108.0575	4.545	2	108.2986	5.640	7	108.2986	5.640	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	3:4:4:2:	4:4:3:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:3:3:2:	3:4:4:4:	4:1:	C[6]-4:C[6]-3:C[6,6]-3:C-2:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:N-1:	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(N)	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:3:4:2:	4:3:3:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(N)	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:3:2:	4:3:4:1:	4:1:	C[6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:N-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6]-4:N[6]-3:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]N[6])(CH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]N[6])(CH)	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:3:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:3:2:	4:4:2:1:	4:2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-2:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(CSi)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CSi)	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:3:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	111.0080	0.000	1	111.0080	0.000	1	109.0655	7.547	2	109.0655	7.547	2	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:3:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	107.1230	0.000	1	107.1230	0.000	1	109.0655	7.547	2	109.0655	7.547	2	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:2:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(N)	107.4715	0.491	2	107.4715	0.242	2	107.3445	0.165	4	107.3445	0.165	4	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:2:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(N)	107.2175	0.436	2	107.2175	0.190	2	107.3445	0.165	4	107.3445	0.165	4	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	103.6290	0.000	1	103.6290	0.000	1	107.1823	9.661	3	108.2808	7.147	5	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN){2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	108.9590	0.619	2	108.9590	0.384	2	107.1823	9.661	3	108.2808	7.147	5	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(N)	109.6010	0.000	1	109.6010	0.000	1	109.9285	0.215	2	108.2808	7.147	5	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(N)	110.2560	0.000	1	110.2560	0.000	1	109.9285	0.215	2	108.2808	7.147	5	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	109.2580	0.000	1	109.2580	0.000	1	110.4875	0.586	6	110.4875	0.586	6	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	110.9120	0.000	1	110.5665	0.239	2	110.4875	0.586	6	110.4875	0.586	6	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	110.2210	0.000	1	110.5665	0.239	2	110.4875	0.586	6	110.4875	0.586	6	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(N)	110.1470	0.000	1	110.1470	0.000	1	110.4875	0.586	6	110.4875	0.586	6	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	111.1935	0.234	2	111.1935	0.055	2	110.4875	0.586	6	110.4875	0.586	6	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(N)	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>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(N)	107.4080	0.000	1	107.4080	0.000	1	108.7395	3.546	2	107.2776	3.486	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(N)	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>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(N)	110.0710	0.000	1	110.0710	0.000	1	108.7395	3.546	2	107.2776	3.486	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	106.0590	2.701	2	106.0590	7.296	2	106.6928	2.847	5	107.2776	3.486	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6,6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(N)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(N)	107.1153	1.173	3	107.1153	1.376	3	106.6928	2.847	5	107.2776	3.486	7	108.5127	3.900	43	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[3x6]	C	4:4:4:2:	4:3:4:2:	4:1:	C[3x6]-4:C[6]-4:C-4:C-2:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:N-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6])	C(C[6]C[3x6]C[6]C)(N)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6]){3|C<4>,7|H<1>}	C(C[6]C[3x6]C[6]C)(N)	108.0530	0.000	2	108.0530	0.000	2	108.0530	0.000	2	108.0530	0.000	2	108.0530	0.000	2	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[4x6]	C	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:N-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH)	C(C[6]C[4x6]C[6]H)(N)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H){2|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH){4|C<4>,8|H<1>}	C(C[6]C[4x6]C[6]H)(N)	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	3:4:2:1:	4:4:4:1:	4:2:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H){4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(CC[6a])	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:3:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H){2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(N)	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]H)(N)	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(N)	109.1047	0.511	3	109.1047	0.261	3	109.1465	0.181	4	109.1465	0.181	4	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(N)	109.2720	0.000	1	109.2720	0.000	1	109.1465	0.181	4	109.1465	0.181	4	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:2:1:	3:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(N)	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(N)	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(N)	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	111.0558	6.445	4	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H)	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H){4|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(N)	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	111.0558	6.445	4	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(N)	109.0510	0.000	2	109.0510	0.000	2	109.0510	0.000	2	111.0558	6.445	4	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:2:1:	4:4:3:3:	4:2:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C-2:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C(C[6]C[6,6]C[6]H)(CC)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC)	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:2:1:	4:4:4:1:	4:2:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH)	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(N)	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	107.5900	2.696	2	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-3:C-2:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(N)	108.7510	0.000	1	108.7510	0.000	1	108.7510	0.000	1	107.5900	2.696	2	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:3:2:	3:4:4:1:	4:2:	C[6,6]-4:C[6]-4:C-3:C-2:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[6a])	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[6a])	112.1430	0.245	2	112.1430	0.060	2	112.1430	0.060	2	112.1430	0.060	2	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(N)	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	110.6537	3.738	20	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	2:4:2:1:	3:4:1:1:	4:1:	O[6]-2:C[6]-4:C-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(N)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(N)	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	2:4:2:1:	3:4:4:2:	4:2:	O[6]-2:C[6]-4:C-2:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-2:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN){2|C<3>}	C(C[6]C[6]O[6]H)(CC[6a])	109.1250	0.785	2	109.1250	0.616	2	109.1250	0.616	2	109.1250	0.616	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:3:4:2:	3:3:4:1:	4:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C(C[6]C[6,6a]2C[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6])(CC[6a])	106.4000	0.000	1	106.4000	0.000	1	106.4853	0.005	3	106.4853	0.005	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:3:4:2:	3:3:4:1:	4:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C(C[6]C[6,6a]2C[6])(CSi)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){2|Cl<1>,1|C<4>,8|C<3>}	C(C[6]C[6,6a]2C[6])(CSi)	106.5280	0.000	2	106.5280	0.000	2	106.4853	0.005	3	106.4853	0.005	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:3:4:2:	3:4:3:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C(C[6]C[6,6a]2C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C(C[6]C[6,6a]2C[6])(N)	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:3:4:2:	4:4:3:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN)	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H)	C(C[6]C[6,6a]2C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C[6])(N)	105.4090	0.000	1	105.4090	0.000	1	105.4090	0.000	1	105.4090	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	2:4:4:4:	4:1:	N[6]-3:C[6]-4:C-2:H-1:	S[6]-2:C[6]-4:C-4:C-4:	C[6]-4:N-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2	C(C[6]C[6]N[6]H)(N)	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(N)	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	3:4:4:1:	4:1:	C[5a,6]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(N)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(N)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(N)	107.6010	0.000	1	107.6010	0.000	1	107.8710	0.146	2	107.8710	0.146	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(N)	108.1410	0.000	1	108.1410	0.000	1	107.8710	0.146	2	107.8710	0.146	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2{2|C<3>,5|C<4>}	C(C[6]C[6,6a]C[6]H)(N)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	109.5156	3.195	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[6,6]C[6]H)(N)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]N[6,6]C[6]H)(N)	109.0063	1.486	3	109.0063	2.208	3	109.7725	3.820	4	109.5156	3.195	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[6,6]C[6]H)(N)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]N[6,6]C[6]H)(N)	112.0710	0.000	1	112.0710	0.000	1	109.7725	3.820	4	109.5156	3.195	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:4:1:1:	4:2:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(CC)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2{1|H<1>,3|C<4>}	C(C[6]N[5,6]C[6]H)(CC)	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(N)	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	110.1460	0.360	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:4:2:1:	4:1:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:N-1:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	C(C[6]N[5,6]C[6]H)(N)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6]H)(N)	110.5700	0.000	1	110.5700	0.000	1	110.5700	0.000	1	110.1460	0.360	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:1:	4:4:3:1:	4:2:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-2:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H)	C(C[6]C[6,6a]C[6]H)(CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH)	111.2457	0.574	3	111.2457	0.329	3	111.2457	0.329	3	111.2457	0.329	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	3:4:2:2:	4:1:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2	C(C[6]C[5a,6]C[6]C)(N)	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2{2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2{1|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(N)	107.8185	0.177	2	107.8185	0.032	2	107.8185	0.032	2	108.1298	0.141	4	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	3:4:2:2:	4:1:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2	C(C[6]C[6,6a]C[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6,6a]CC)(CN)2{2|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(N)	108.4410	0.068	2	108.4410	0.005	2	108.4410	0.005	2	108.1298	0.141	4	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	4:3:1:1:	4:1:	C[6]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2{1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(N)	109.1610	0.273	2	109.1610	0.074	2	109.1610	0.074	2	109.8950	1.616	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	4:3:1:1:	4:1:	N[6,6]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	C(C[6]N[6,6]C[6]C)(N)	110.2620	1.459	4	110.2620	2.129	4	110.2620	2.129	4	109.8950	1.616	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C(C[6]C[6,6a]C[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(N)	109.7375	2.370	4	109.7375	5.617	4	109.7375	5.617	4	110.0142	3.705	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	4:3:4:1:	4:1:	N[6,6]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C(C[6]N[6,6]C[6]C)(N)	110.5675	0.869	2	110.5675	0.755	2	110.5675	0.755	2	110.0142	3.705	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	4:4:3:1:	4:1:	C[6]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CN)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2C)(N)	108.9610	1.003	2	108.9610	1.005	2	108.9610	1.005	2	108.9610	1.005	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:2:2:	4:4:4:1:	4:1:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	C(C[6]C[5a,6]C[6]C)(N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H){1|H<1>,5|C<3>}	C(C[6]C[5a,6]C[6]C)(N)	108.8080	0.037	2	108.8080	0.001	2	108.8080	0.001	2	108.8080	0.001	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2{4|C<3>}	C(C[6]C[6a]C[6]2)(N)	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:3:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2	C(C[6]C[6,6a]C[6]2)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6]2)(N)	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:3:2:	4:4:1:1:	4:2:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CC[6a])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a])	107.2570	0.000	1	107.2570	0.000	1	107.2570	0.000	1	107.2570	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:3:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H)	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(N)	109.7530	2.048	2	109.7530	4.193	2	109.7530	4.193	2	109.7530	4.193	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(N)	108.1385	0.873	2	108.1385	0.763	2	108.1385	0.763	2	108.1385	0.763	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:2:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:C-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(N)	108.8945	0.593	2	108.8945	0.352	2	108.8945	0.352	2	109.2808	1.018	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:2:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(N)	108.3200	0.000	1	108.3200	0.000	1	109.5383	1.611	3	109.2808	1.018	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:2:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(N)	110.1475	0.998	2	110.1475	0.995	2	109.5383	1.611	3	109.2808	1.018	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:3:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(N)	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>,3|N<2>}	C(C[6]C[6a]C[6]2)(N)	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	3:4:4:2:	4:1:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C(C[6]C[6,6a]C[6]2)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]2)(N)	107.3700	0.462	2	107.3700	0.214	2	107.3700	0.214	2	107.3700	0.214	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:3:1:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2	C(C[6]C[5a]C[6]2)(N)	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN){1|C<4>,5|C<3>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C(C[6]C[5a]C[6]2)(N)	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:3:2:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:N-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN)	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C(C[6]C[5a]C[6]2)(N)	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN){1|C<4>,5|C<3>}	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|S<2>,3|C<3>,6|H<1>}	C(C[6]C[5a]C[6]2)(N)	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN)	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2	C(C[6]C[5a]C[6]2)(N)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN){1|N<3>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a]C[6]2)(N)	108.2475	0.265	2	108.2475	0.070	2	108.2475	0.070	2	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]2)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]2)(N)	107.7345	1.438	2	107.7345	2.067	2	107.7345	2.067	2	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C(C[6]C[6a]C[6]2)(N)	112.6880	0.000	1	112.6880	0.000	1	109.0574	7.540	7	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(N)	108.4000	4.021	2	108.3558	9.917	4	109.0574	7.540	7	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(N)	108.3115	3.685	2	108.3558	9.917	4	109.0574	7.540	7	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6a]C[6]2)(N)	108.6550	0.000	1	108.6550	0.000	1	109.0574	7.540	7	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6a]C[6]2)(N)	108.6360	0.000	1	108.6360	0.000	1	109.0574	7.540	7	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]C)(N)	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	108.5858	4.678	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:2:	C[5a,6]-3:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(CC)	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	109.0713	1.835	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:2:	N[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC)	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]N[5a]C[6]2)(CH)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]N[5a]C[6]2)(CH)	109.6235	1.357	2	109.6235	1.841	2	109.6235	1.841	2	109.0713	1.835	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	3:4:2:3:	4:2:	C[6]-4:S[6]-2:C-2:H-1:	C[6]-3:C[6]-4:S[6]-2:C-3:	C[6]-4:C-2:	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H)	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO)	C(C[6]C[6]S[6]H)(CC[6a])	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]S[6]H)(CC[6a])	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	4:3:1:1:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]H)(CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC)	112.8280	0.389	2	112.8280	0.151	2	112.8280	0.151	2	112.8280	0.151	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(N)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(N)	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	4:4:1:1:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2{1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CC)	114.3840	0.000	1	114.3840	0.000	1	114.3840	0.000	1	114.0480	0.226	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	4:4:1:1:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a])	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	114.0480	0.226	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CH)	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	110.6835	1.275	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CH)	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	110.6835	1.275	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:2:2:1:	4:4:4:1:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	C(C[6]C[6]O[6]H)(CH)	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	114.3410	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	3:3:4:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6]2H)(N)	111.7380	0.379	2	111.7380	0.144	2	111.7380	0.144	2	111.7380	0.144	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	3:4:1:1:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]H)(N)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-3:C-2:Cl-1:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)(Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C(C[6]C[6]2Cl)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)(Cl){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(N)	111.6000	1.011	2	111.6000	1.022	2	111.6000	1.022	2	114.2373	21.378	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(N)	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	114.2373	21.378	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(N)	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.3560	0.312	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(N)	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	113.3560	0.312	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:3:1:1:	4:2:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(CC[6a])	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CC[6a])	112.0240	0.454	2	112.0240	0.206	2	112.0240	0.206	2	112.0240	0.206	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:3:3:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	C(C[6]C[6]2H)(N)	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C(C[6]C[6]2H)(N)	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	110.4750	1.689	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(N)	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	110.4750	1.689	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:3:4:4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(N)	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(N)	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	111.3503	0.242	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(N)	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	111.3503	0.242	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{2|H<1>,4|C<4>}	C(C[6]C[6]N[6]H)(N)	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.3503	0.242	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NSn)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NSn)	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:4:2:1:	4:2:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a])	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(N)	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(N)	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	3:3:4:1:	4:1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,6|C<3>}	C(C[6]C[6]2C)(N)	109.0600	1.595	2	109.0600	2.545	2	109.0600	2.545	2	109.0600	2.545	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	3:4:3:4:	4:1:	C[6]-4:C[6]-3:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2{1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	110.1195	0.326	2	110.1195	0.106	2	110.1195	0.106	2	110.1195	0.106	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	108.6500	1.383	4	108.6500	1.912	4	108.6500	1.912	4	108.6500	1.912	4	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|S<2>,3|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>}	C(C[6]C[6]2C)(N)	109.9420	3.332	4	109.9420	11.103	4	109.9420	11.103	4	109.8920	6.925	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:C-2:C-2:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|Br<1>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	109.8670	2.920	2	109.4695	8.549	4	109.4695	8.549	4	109.8920	6.925	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:C-2:C-2:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	109.0720	4.060	2	109.4695	8.549	4	109.4695	8.549	4	109.8920	6.925	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C(C[6]C[6]2C)(N)	110.6370	1.240	2	110.6370	1.538	2	110.6370	1.538	2	109.8920	6.925	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:2:2:	4:4:4:4:	4:2:	C[6]-4:C[6]-3:C-2:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2O)(CH)	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:3:2:	4:3:3:2:	4:1:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[6]-4:N-1:	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	C(C[6]C[5]C[6]2)(N)	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[6]C[5]C[6]2)(N)	111.5485	0.513	2	111.5485	0.263	2	111.5485	0.263	2	111.5485	0.263	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:3:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(N)	110.0085	0.042	2	108.8226	1.869	5	108.8226	1.869	5	108.8226	1.869	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:3:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(N)	108.0320	1.180	3	108.8226	1.869	5	108.8226	1.869	5	108.8226	1.869	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:3:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6]C[6]3)(N)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]3)(N)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:3:2:	4:4:4:1:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(N)	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(N)	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:2:1:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(N)	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:4:1:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(N)	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(N)	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	108.9095	0.284	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2{2|H<1>,4|C<4>}	C(C[6]C[6]N[6]C)(N)	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	108.9095	0.284	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(N)	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]H)(N)	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C(C[6]C[6]2Cl)(N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2Cl)(N)	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	111.2965	2.140	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(N)	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	111.2965	2.140	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(N)	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:2:2:2:	4:1:	C[6]-4:C[6]-4:C-2:Cl-1:	C[6]-4:O[6]-2:N-2:O-2:	C[6]-4:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	C(C[6]C[6]2Cl)(N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl){4|C<3>}	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	C(C[6]C[6]2Cl)(N)	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(N)	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:3:1:1:	4:2:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-2:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	C(C[6]C[6,6]C[6]H)(CC)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CC)	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(N)	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[4x6]C[6]H)(N)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[4x6]C[6]H)(N)	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(N)	110.3770	0.000	1	109.3717	2.963	3	109.9631	2.061	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(N)	108.8690	2.100	2	109.3717	2.963	3	109.9631	2.061	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(N)	108.5510	0.000	1	108.5510	0.000	1	109.9631	2.061	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(N)	111.0510	0.000	1	111.0510	0.000	1	109.9631	2.061	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(N)	110.9450	0.000	1	110.9450	0.000	1	109.9631	2.061	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H){4|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(N)	111.0800	0.000	1	111.0800	0.000	1	109.9631	2.061	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(N)	106.6100	0.000	1	106.6100	0.000	1	106.6100	0.000	1	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:Br-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Br)(N)	C[6](C[6]C[6]HH)2(CN)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<2>,1|C<4>,2|H<1>}	C(C[6]C[6]2Br)(N)	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(N)	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(N)	112.8500	0.000	1	112.8500	0.000	1	111.0493	1.076	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(N)	111.4360	0.000	1	111.4360	0.000	1	111.0493	1.076	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(N)	110.8360	0.000	1	110.8360	0.000	1	111.0493	1.076	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(N)	110.3040	0.725	2	110.5558	0.681	4	111.0493	1.076	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(N)	110.8075	1.124	2	110.5558	0.681	4	111.0493	1.076	7	110.0730	2.853	20	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC)	111.5750	0.000	1	111.5750	0.000	1	110.3888	0.778	4	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[5,6]CH)2(H)2	C(C[6]C[5,6]C[6]H)(CC)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC)	109.9933	0.479	3	109.9933	0.229	3	110.3888	0.778	4	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH)	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a])	C[6](C[6]C[6]HH)2(CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a])	112.6830	0.000	1	112.6830	0.000	1	111.4307	1.523	6	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CN)	C[6](C[6]C[6]HH)2(CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CN)	111.9675	1.913	2	111.9675	3.659	2	111.4307	1.523	6	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CP)	C[6](C[6]C[6]HH)2(CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CP)	110.6680	0.075	2	110.6680	0.006	2	111.4307	1.523	6	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CC[6a])	C[6](C[6]C[6]HH)2(CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a])	110.6300	0.000	1	110.6300	0.000	1	111.4307	1.523	6	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NSn)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NSn)	109.0105	2.825	2	109.0105	7.980	2	109.0105	7.980	2	110.6805	2.269	13	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(CC[6])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(CC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)2	109.9135	10.619	2	109.9135	112.755	2	109.9135	112.755	2	109.9135	112.755	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(N)	110.7890	0.000	1	110.7890	0.000	1	108.9360	6.867	2	108.9360	6.867	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(N)	107.0830	0.000	1	107.0830	0.000	1	108.9360	6.867	2	108.9360	6.867	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(N)	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(N)	109.5730	0.000	2	109.5730	0.000	2	109.5730	0.000	2	109.7693	0.116	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(N)	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	109.7693	0.116	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	C(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:3:3:4:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]HH)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]HH)(CN)2{2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC){1|C<4>,6|C<3>,7|H<1>}	C(C[6]C[6]2C)(N)	111.9545	1.455	2	111.9545	2.116	2	111.9545	2.116	2	111.9545	2.116	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2{1|C<2>,1|C<4>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(N)	110.2640	1.986	2	110.2640	3.942	2	110.2640	3.942	2	109.8392	0.965	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2{1|C<2>,1|C<4>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C(C[6]C[6]2C)(N)	109.4845	0.202	2	109.4845	0.041	2	109.4845	0.041	2	109.8392	0.965	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2{1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C(C[6]C[6]2C)(N)	109.7690	0.467	2	109.7690	0.218	2	109.7690	0.218	2	109.8392	0.965	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6]C)(N)	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>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C(C[6]C[5,6]C[6]C)(N)	109.1707	1.416	4	109.1707	2.004	4	109.1707	2.004	4	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6]C)(N)	108.0950	0.983	2	108.5925	1.032	4	108.5925	1.032	4	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	C(C[6]C[5,6]C[6]C)(N)	109.0900	1.068	2	108.5925	1.032	4	108.5925	1.032	4	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2{1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(N)	109.2980	0.539	2	109.2980	0.290	2	109.2980	0.290	2	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(N)	111.0153	3.412	4	111.0153	11.642	4	109.7912	4.728	12	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	109.3125	0.610	4	109.3125	0.372	4	109.7912	4.728	12	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(CN)2{1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(N)	109.1410	2.316	2	109.0460	2.280	4	109.7912	4.728	12	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(CN)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	108.9510	1.199	2	109.0460	2.280	4	109.7912	4.728	12	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]N[6]H)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]N[6]H)(CN)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	109.4280	1.911	2	109.4280	3.650	2	109.4280	3.650	2	109.4167	3.032	24	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H)	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2O)(CH)	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:3:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(N)	108.5295	0.634	2	108.5295	0.402	2	108.5295	0.402	2	108.5295	0.402	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]C)(N)	109.0591	1.008	8	109.0591	1.015	8	109.0591	1.015	8	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	109.4980	0.409	2	109.4980	0.167	2	109.4980	0.167	2	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C(C[6]C[6]2C)(N)	108.1320	3.024	2	108.1320	9.142	2	108.1320	9.142	2	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	109.9600	0.877	2	109.9600	0.769	2	109.6400	3.050	24	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(N)	109.4357	1.657	4	109.4357	2.746	4	109.6400	3.050	24	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C(C[6]C[6]2C)(N)	110.3240	0.656	2	110.3240	0.431	2	109.6400	3.050	24	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(CN)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	109.2243	3.138	6	109.5436	7.611	8	109.6400	3.050	24	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(CN)2{1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	110.5015	1.269	2	109.5436	7.611	8	109.6400	3.050	24	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(CN)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	109.2325	0.450	6	109.5875	0.861	8	109.6400	3.050	24	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(CN)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	110.6525	1.409	2	109.5875	0.861	8	109.6400	3.050	24	109.4192	2.631	36	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	3:4:4:3:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]N[6]H)(CN)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]N[6]H)(CN)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH){1|N<3>,3|C<3>,5|H<1>}	C(C[6]C[6]2C)(N)	109.5270	0.993	2	109.5270	0.986	2	109.5270	0.986	2	109.5270	0.986	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(N)	110.1635	2.500	2	110.1635	6.248	2	110.1635	6.248	2	110.1635	6.248	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(N)	109.8370	0.406	2	109.8370	0.165	2	110.1195	0.314	8	110.1195	0.314	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<2>,2|C<4>}	C(C[6]C[6]2C)(N)	110.5120	0.021	2	110.5120	0.000	2	110.1195	0.314	8	110.1195	0.314	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<2>,2|C<4>}	C(C[6]C[6]2C)(N)	110.6740	0.253	2	110.6740	0.064	2	110.1195	0.314	8	110.1195	0.314	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(N)	109.4550	0.079	2	109.4550	0.006	2	110.1195	0.314	8	110.1195	0.314	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:3:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H)	C(C[6]C[5,6]C[6]C)(N)	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>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6]C)(N)	109.9575	0.540	2	109.9575	0.291	2	109.9575	0.291	2	109.8730	2.409	4	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:3:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(N)	109.7885	2.628	2	109.7885	6.908	2	109.7885	6.908	2	109.8730	2.409	4	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H){2|C<2>,2|C<4>}	C(C[6]C[6]2C)(N)	110.0745	0.194	2	110.0745	0.038	2	110.6463	1.002	4	110.0427	2.565	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<2>}	C(C[6]C[6]2C)(N)	111.2180	1.288	2	111.2180	1.660	2	110.6463	1.002	4	110.0427	2.565	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(N)	108.8355	2.334	2	108.8355	5.448	2	108.8355	5.448	2	110.0427	2.565	6	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(N)	109.4925	0.800	2	109.4925	0.640	2	109.4925	0.640	2	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]HH)(CN)2{2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{4|C<3>}	C(C[6]C[6]2C)(N)	108.6630	2.629	2	108.6630	6.912	2	109.2646	1.219	8	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(N)	109.0115	0.187	2	109.0115	0.035	2	109.2646	1.219	8	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(CN)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	109.6920	0.033	4	109.6920	0.001	4	109.2646	1.219	8	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(NC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(CN)(NC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2N)(N)	109.4760	1.392	2	109.4760	1.937	2	109.5715	1.169	6	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2N)(N)	109.6193	1.138	4	109.6193	1.294	4	109.5715	1.169	6	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2O)(N)	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(N)	108.1400	0.000	1	108.1400	0.000	1	106.4515	3.490	4	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(N)	104.8375	0.199	2	104.8375	0.039	2	106.4515	3.490	4	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2O)(N)	107.9910	0.000	1	107.9910	0.000	1	106.4515	3.490	4	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(OSi)(CN)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(N)	C[6](C[6]C[6]HH)2(OSi)(CN){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2O)(N)	108.7570	0.000	1	108.7570	0.000	1	108.5815	0.062	2	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(OSi)(CN)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(N)	C[6](C[6]C[6]HH)2(OSi)(CN){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(N)	108.4060	0.000	1	108.4060	0.000	1	108.5815	0.062	2	108.9194	2.807	23	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(NC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(CC[6a])	C[6](C[6]C[6]HH)2(CC)(NC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2N)(CC[6a])	109.4403	0.615	4	109.4403	0.379	4	109.4403	0.379	4	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CC[6a])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a])	109.3340	0.000	1	109.3340	0.000	1	109.6455	0.194	2	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH)	109.9570	0.000	1	109.9570	0.000	1	109.6455	0.194	2	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CC[6a])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(CC[6a])	112.0710	0.000	1	112.0710	0.000	1	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(CH)	110.4230	0.000	1	110.4230	0.000	1	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CH)	107.7870	0.000	1	107.7870	0.000	1	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(CH)	110.7887	0.398	4	110.7887	0.158	4	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(CC[6a])	110.7175	0.914	2	110.7127	0.389	4	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2O)(CC[6a])	110.7080	0.574	2	110.7127	0.389	4	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(CH)	111.1883	0.208	3	111.1883	0.043	3	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]HH)2(CC)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(CH)	110.5275	0.026	2	110.5275	0.001	2	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CAu)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CAu)	110.1575	0.571	6	110.1575	0.326	6	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2O)(CH)	110.6150	0.984	2	110.3124	0.614	28	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(CH)	110.2891	0.785	26	110.3124	0.614	28	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CI)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(CI)	109.7395	0.891	20	109.7395	0.794	20	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(CH)	109.9200	0.000	1	109.9200	0.000	1	110.2156	0.781	71	110.1605	0.774	77	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	C(C[6]C[6]2O)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(N)	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(CC)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]2O)(CC)	111.4265	0.103	2	111.4265	0.011	2	111.4265	0.011	2	109.9264	1.671	7	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(CC)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2O)(CC)	108.3655	0.149	2	108.3655	0.022	2	109.3264	0.929	5	109.9264	1.671	7	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH)	109.9670	0.556	3	109.9670	0.309	3	109.3264	0.929	5	109.9264	1.671	7	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(N)	107.4640	0.856	2	108.4938	1.694	4	108.8929	4.663	16	108.8929	4.663	16	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(N)	109.5235	0.327	2	108.4938	1.694	4	108.8929	4.663	16	108.8929	4.663	16	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(N)	110.7090	0.689	2	110.7090	0.474	2	108.8929	4.663	16	108.8929	4.663	16	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(N)	109.2370	0.890	2	109.0143	3.806	4	108.8929	4.663	16	108.8929	4.663	16	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(N)	108.7915	3.229	2	109.0143	3.806	4	108.8929	4.663	16	108.8929	4.663	16	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2{1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2C)(N)	107.0803	2.661	4	107.0803	7.079	4	108.8929	4.663	16	108.8929	4.663	16	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|O<2>,3|C<3>}	C(C[6]C[6]2C)(N)	111.2580	0.325	2	111.2580	0.106	2	108.8929	4.663	16	108.8929	4.663	16	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:2:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C-2:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH)	109.6570	0.365	4	109.6570	0.133	4	109.6570	0.133	4	109.6570	0.133	4	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[5,6]C[6]C)(N)	109.5530	1.112	2	109.5530	1.236	2	109.5530	1.236	2	109.5530	1.236	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:3:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6]2O)(CC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a])	109.2220	1.099	2	109.2220	1.207	2	109.2220	1.207	2	109.2220	1.207	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(N)	109.2095	0.251	2	109.2095	0.063	2	109.2095	0.063	2	110.3624	4.137	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	110.6795	3.362	2	110.6795	11.305	2	110.7467	5.071	6	110.3624	4.137	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(N)	110.7802	2.163	4	110.7802	4.678	4	110.7467	5.071	6	110.3624	4.137	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH)	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	109.2484	0.684	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	C(C[6]C[6]2O)(CC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a])	109.7845	1.275	2	109.7845	1.625	2	109.7845	1.625	2	109.2484	0.684	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:O-2:C-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C(C[6]C[6]2O)(CH)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	C(C[6]C[6]2O)(CH)	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	109.2484	0.684	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2O)(CH)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(CH)	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	109.2484	0.684	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(N)	108.7715	0.789	4	108.7715	0.622	4	108.7715	0.622	4	108.7715	0.622	4	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]O)(N)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2{2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]O)(N)	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	110.9550	3.603	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C(C[6]C[6]2O)(N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(N)	112.0480	0.194	2	112.0480	0.038	2	112.0480	0.038	2	110.9550	3.603	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	2:4:2:2:	4:1:	C[6]-4:C[6]-4:N-3:C-2:	O[6]-2:C[6]-4:O-2:O-2:	C[6]-4:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2	C(C[6]C[6]2N)(N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2{1|H<1>,3|C<3>}	C(C[6]C[6]2N)(N)	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:N-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6]C[6]2N)(N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C(C[6]C[6]2N)(N)	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]C)(N)	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:1:1:	4:2:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(CC[6a])	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CC[6a])	110.5205	0.343	2	110.5205	0.118	2	110.5205	0.118	2	110.5205	0.118	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(N)	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	108.2255	1.990	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(N)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	108.2255	1.990	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	108.4695	0.165	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|N<2>,1|S<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(N)	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.4695	0.165	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	113.2250	0.000	1	113.2250	0.000	1	111.0888	6.934	8	111.0888	6.934	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2C)(N)	112.0700	0.000	1	112.0700	0.000	1	111.0888	6.934	8	111.0888	6.934	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2C)(N)	108.3080	0.000	1	108.3080	0.000	1	111.0888	6.934	8	111.0888	6.934	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	107.9170	0.000	1	109.0083	1.472	3	111.0888	6.934	8	111.0888	6.934	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	109.5540	1.076	2	109.0083	1.472	3	111.0888	6.934	8	111.0888	6.934	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2C)(N)	115.0210	0.000	1	114.0410	1.921	2	111.0888	6.934	8	111.0888	6.934	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	113.0610	0.000	1	114.0410	1.921	2	111.0888	6.934	8	111.0888	6.934	8	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(COO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(COO)(CN){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(N)	109.5650	0.000	1	109.5650	0.000	1	108.4315	2.570	2	108.4315	2.570	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){5|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(N)	107.2980	0.000	1	107.2980	0.000	1	108.4315	2.570	2	108.4315	2.570	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6]2C)(N)	110.8000	0.000	1	110.8000	0.000	1	110.6480	0.046	2	110.6480	0.046	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(N)	110.4960	0.000	1	110.4960	0.000	1	110.6480	0.046	2	110.6480	0.046	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:3:4:3:	4:1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:N-1:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(N)	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	111.5740	0.000	1	111.5740	0.000	1	109.8800	2.974	4	108.9867	3.029	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	107.7200	0.000	1	107.7200	0.000	1	109.8800	2.974	4	108.9867	3.029	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(COO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(COO)(CN){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(N)	109.3140	0.000	1	109.3140	0.000	1	109.8800	2.974	4	108.9867	3.029	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(N)	110.9120	0.000	1	110.9120	0.000	1	109.8800	2.974	4	108.9867	3.029	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(NCH)(CN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(NCH)(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2N)(N)	108.6625	1.429	2	108.6625	2.042	2	108.5400	2.801	8	108.9867	3.029	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(NCO)(CN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(NCO)(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2N)(N)	108.4190	1.964	4	108.4190	3.858	4	108.5400	2.801	8	108.9867	3.029	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(CN)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(NC[6a]H)(CN){1|N<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2N)(N)	108.6595	2.423	2	108.6595	5.872	2	108.5400	2.801	8	108.9867	3.029	12	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(N)	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(N)	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	109.6097	12.836	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	109.8100	0.000	1	109.8100	0.000	1	111.4490	5.373	2	109.6097	12.836	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	113.0880	0.000	1	113.0880	0.000	1	111.4490	5.373	2	109.6097	12.836	3	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(N)	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2C)(N)	107.0300	0.000	1	107.0300	0.000	1	106.9845	0.004	2	106.9845	0.004	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2C)(N)	106.9390	0.000	1	106.9390	0.000	1	106.9845	0.004	2	106.9845	0.004	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	109.2240	0.000	1	109.2240	0.000	1	108.7264	0.238	5	108.7264	0.238	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	108.6020	0.463	4	108.6020	0.215	4	108.7264	0.238	5	108.7264	0.238	5	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(N)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3x6]C[6]C)(N)	108.1310	0.000	2	108.1310	0.000	2	108.1310	0.000	2	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(N)	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	106.6690	0.000	1	106.6690	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	106.2293	0.123	3	106.2293	0.015	3	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	106.1210	0.000	1	106.1210	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	110.9760	0.000	1	110.9760	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	107.2900	0.000	1	107.2900	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	107.1010	0.000	1	106.8275	0.150	2	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	106.5540	0.000	1	106.8275	0.150	2	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(N)	108.0620	0.000	1	108.0620	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(N)	108.1060	0.000	1	108.1060	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	108.6560	0.000	1	108.5674	0.202	5	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6]2C)(N)	108.5452	0.516	4	108.5674	0.202	5	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	106.8760	0.000	1	106.8760	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(N)	107.3680	0.000	1	107.3680	0.000	1	107.5916	1.652	18	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C(C[6]C[6]3)(N)	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]3)(N)	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	107.5427	1.473	22	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NH3)(CC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(CH)	C[6](C[6]C[6]HH)2(NH3)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2N)(CH)	110.9345	0.186	2	110.9345	0.035	2	110.9345	0.035	2	110.9345	0.035	2	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	103.4490	0.000	1	103.4490	0.000	1	106.7371	3.793	9	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	106.5730	0.514	3	106.5730	0.264	3	106.7371	3.793	9	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	106.3780	0.000	1	106.3780	0.000	1	106.7371	3.793	9	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	109.2760	0.000	1	109.2760	0.000	1	106.7371	3.793	9	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	105.4940	0.000	1	105.4940	0.000	1	106.7371	3.793	9	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	106.3200	0.000	1	106.3200	0.000	1	106.7371	3.793	9	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(N)	109.9980	0.000	1	109.9980	0.000	1	106.7371	3.793	9	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]3)(N)	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]3)(N)	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	107.0075	4.103	10	109.5797	3.649	517	109.7880	3.602	925
466	466	983	0:SP3_SP1_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:N-1:	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH)	C(C[6]C[6]3)(N)	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH){4|C<4>,7|H<1>}	C(C[6]C[6]3)(N)	104.6030	0.000	1	104.6030	0.000	1	104.6030	0.000	1	104.6030	0.000	1	109.5797	3.649	517	109.7880	3.602	925
466	466	992	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Cl-1:Cl-1:O-1:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(Cl)2(O)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O){2|H<1>,4|C<4>}	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2{4|C<4>,6|H<1>}	P(C[3x6]C[6,6]3)(Cl)2(O)	108.1530	0.552	2	108.1530	0.304	2	108.1530	0.304	2	110.0078	7.360	5	109.7580	4.678	29	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Cl-1:Cl-1:O-1:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(Cl)2(O)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O){2|H<1>,4|C<4>}	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)(Cl)2(O)	112.8210	0.000	1	112.8210	0.000	1	111.2443	8.834	3	110.0078	7.360	5	109.7580	4.678	29	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Cl-1:Cl-1:O-1:	C[3x6](C[6,6]C[6x6]HH)3(PCl2O)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(Cl)2(O)	C[3x6](C[6,6]C[6x6]HH)3(PCl2O){6|C<4>}	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)(Cl)2(O)	110.4560	3.734	2	110.4560	13.939	2	111.2443	8.834	3	110.0078	7.360	5	109.7580	4.678	29	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:3:2:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:O-3:O-2:O-2:	C[3x6](C[6,6]C[3x6]HH)3(PO3)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(OCo2)(OCo)(OMo)	C[3x6](C[6,6]C[3x6]HH)3(PO3){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)(OCo2)(OCo)(OMo)	110.0885	0.885	6	110.0885	0.782	6	110.0522	0.511	9	110.0522	0.511	9	109.7580	4.678	29	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:3:2:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:O-3:O-2:O-2:	C[3x6](C[6,6]C[3x6]HH)3(PO3)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(OMo2)(OMo)2	C[3x6](C[6,6]C[3x6]HH)3(PO3){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)(OMo2)(OMo)2	109.9797	0.279	3	109.9797	0.078	3	110.0522	0.511	9	110.0522	0.511	9	109.7580	4.678	29	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:B-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(PBHH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(BH3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PBHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)(BH3)(H)2	109.7617	0.607	3	109.7617	0.369	3	109.7617	0.369	3	109.4982	6.810	15	109.7580	4.678	29	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]HH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)2(H)2	109.4323	2.929	12	109.4323	8.577	12	109.4323	8.577	12	109.4982	6.810	15	109.7580	4.678	29	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[4x6]	C[4x6]	P	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:P-4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:Cl-1:Cl-1:O-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H)	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	110.5480	0.190	2	110.5480	0.036	2	110.5480	0.036	2	110.5480	0.036	2	110.5480	0.036	2	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[4x6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:P-4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:Cl-1:Cl-1:O-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2{4|C<4>,6|H<1>}	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6,6]	C[3x6]	P	4:4:4:1:	3:3:4:1:	4:4:4:4:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	P(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)2(BH3)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,4|C<3>,4|H<1>}	P(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)2(BH3)	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6,6]	C[6,6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2	P(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)2(BH3)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2{1|H<1>,4|C<3>}	P(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)2(BH3)	114.4680	0.000	1	114.4680	0.000	1	114.4680	0.000	1	114.4680	0.000	1	111.5600	16.913	2	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6,6]	C[6,6]	P	4:4:4:4:	4:4:1:1:	4:3:3:3:	C[6,6]-4:C[6]-4:C[6]-4:P-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2P)(H)2	P(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)3	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3){3|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2P)(H)2{1|B<4>,2|C<3>,2|C<4>,8|H<1>}	P(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)3	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	111.5600	16.913	2	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6,6]	C[6]	P	3:3:4:4:	4:3:1:1:	4:2:2:1:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:O-2:O-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2{1|H<1>,1|S<4>,5|C<3>}	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	110.4293	7.687	3	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6,6]	C[6]	P	4:4:4:4:	4:3:1:1:	4:3:3:3:	C[6,6]-4:C[6]-4:C[6]-4:P-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2	P(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)3	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2{1|B<4>,2|C<4>,5|H<1>}	P(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)3	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	110.4293	7.687	3	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6,6]	C[6]	P	4:4:4:4:	4:4:1:1:	4:3:3:3:	C[6,6]-4:C[6]-4:C[6]-4:P-4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2	P(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)3	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2{1|C<4>,5|C<3>,6|H<1>}	P(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)3	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	110.4293	7.687	3	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6,6]	P	4:3:4:1:	3:4:4:1:	4:2:2:1:	C[6,6]-4:C[6]-3:P-4:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	P(C[6]C[6,6]C[6]H)(OC)2(O)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	P(C[6]C[6,6]C[6]H)(OC)2(O)	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	115.0150	7.467	3	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6,6]	P	4:3:4:1:	4:3:4:1:	4:2:2:1:	C[6,6]-4:C[6]-3:P-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	P(C[6]C[6,6]C[6]H)(OC)2(O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	P(C[6]C[6,6]C[6]H)(OC)2(O)	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	115.0150	7.467	3	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6,6]	P	4:4:4:1:	3:4:4:1:	4:3:3:3:	C[6,6]-4:C[6]-4:P-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	P(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	P(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)3	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	115.0150	7.467	3	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[6,6]-3:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2	P(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)2(O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	P(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)2(O)	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	109.9823	0.415	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2	P(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2{1|H<1>,2|C<3>}	P(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(O)	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	109.9823	0.415	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	3:4:4:1:	4:4:1:1:	4:3:3:1:	N[6]-3:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2	P(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H){1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2{1|H<1>,2|C<3>}	P(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(O)	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	109.9823	0.415	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:2:4:1:	4:4:2:1:	4:2:2:1:	C[6]-4:O[6]-2:P-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	P(C[6]C[6]O[6]H)(OC)2(O)	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	P(C[6]C[6]O[6]H)(OC)2(O)	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	113.6660	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	3:3:4:1:	4:2:2:1:	C[6]-4:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	P(C[6]C[6]2H)(OC)2(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	P(C[6]C[6]2H)(OC)2(O)	113.7880	0.000	1	113.7880	0.000	1	113.7880	0.000	1	113.7880	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	3:4:1:1:	3:3:4:1:	C[6]-4:C[6]-3:P-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	4:3:1:1:	4:2:2:1:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H)	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2	P(C[6]C[6]N[6]H)(OC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>,1|S<4>}	P(C[6]C[6]N[6]H)(OC)2(O)	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	4:3:4:1:	4:2:2:1:	C[6]-4:C[6]-3:P-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	P(C[6]C[6]2H)(OC)2(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	P(C[6]C[6]2H)(OC)2(O)	114.3070	0.000	1	114.3070	0.000	1	114.3070	0.000	1	114.8570	0.605	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	4:3:4:1:	4:2:2:1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H)	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	P(C[6]C[6]2H)(OC)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	P(C[6]C[6]2H)(OC)2(O)	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	114.8570	0.605	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-3:P-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F)	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2F)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2F)(O)	113.1000	0.290	2	113.1000	0.084	2	113.1000	0.084	2	111.5250	6.107	4	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:S-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(S)	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<1>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(S)	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.5250	6.107	4	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-3:P-4:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2{1|Cl<1>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	111.5250	6.107	4	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:3:4:1:	4:4:4:1:	4:2:2:1:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	P(C[6]C[6]N[6]H)(OC)2(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	P(C[6]C[6]N[6]H)(OC)2(O)	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	3:4:2:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC3)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC3)(O)	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	3:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	P(C[6]C[6]2H)(OC)2(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	P(C[6]C[6]2H)(OC)2(O)	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	3:4:3:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	3:4:4:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	P(C[6]C[6]2H)(OC)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	P(C[6]C[6]2H)(OC)2(O)	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:2:1:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:O-2:Se-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	P(C[6]C[6]2H)(OC[6a])2(Se)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(OC[6a])2(Se)	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:2:4:2:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	P(C[6]C[6]2H)(OC)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	P(C[6]C[6]2H)(OC)2(O)	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O)	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	P(C[6]C[6]2H)2(BH3)(H)	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BH3)(H)	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:3:4:1:	3:3:3:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	P(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2H)	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:3:4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	P(C[6a]C[6a]2)3(C[6]C[6]2H)	109.1780	0.000	1	109.1780	0.000	1	110.4155	3.063	2	110.9433	2.367	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:3:4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H){2|H<1>,3|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	P(C[6a]C[6a]2)3(C[6]C[6]2H)	111.6530	0.000	1	111.6530	0.000	1	110.4155	3.063	2	110.9433	2.367	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:3:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,3|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2H)	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	110.9433	2.367	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	109.9938	4.248	13	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,3|C<3>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	107.9270	0.000	1	107.9270	0.000	1	109.5511	4.484	10	109.9938	4.248	13	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	107.9017	1.592	4	107.9017	2.535	4	109.5511	4.484	10	109.9938	4.248	13	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	110.7650	0.000	1	110.7650	0.000	1	109.5511	4.484	10	109.9938	4.248	13	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(PC[6a]2O)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	111.2140	1.356	2	111.2140	1.839	2	109.5511	4.484	10	109.9938	4.248	13	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(PC[6a]2O)(H)	C[6](C[6]C[6]HP)2(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(PC[6a]2O)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HP)2(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	111.3920	1.899	2	111.3920	3.607	2	109.5511	4.484	10	109.9938	4.248	13	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:Se-1:	C[6](C[6]C[6]HH)2(PC[6a]2Se)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(Se)	C[6](C[6]C[6]HH)2(PC[6a]2Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(Se)	110.9650	0.778	2	110.9650	0.605	2	110.9650	0.605	2	109.9938	4.248	13	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:B-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)(BH3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(BH3)	113.0700	0.327	2	113.0700	0.107	2	113.0700	0.107	2	113.0700	0.107	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:Cl-1:Se-1:	C[6](C[6]C[6]HH)2(PC[6a]ClSe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(Cl)(Se)	C[6](C[6]C[6]HH)2(PC[6a]ClSe)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(Cl)(Se)	111.0530	2.045	2	111.0530	4.182	2	111.0530	4.182	2	111.5710	1.987	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	111.8300	1.284	4	111.8300	1.649	4	111.8300	1.649	4	111.5710	1.987	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(PC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(OC[6])(O)	C[6](C[6]C[6]HH)2(PC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(OC[6])(O)	111.3865	0.569	2	111.3865	0.324	2	111.3865	0.324	2	111.3865	0.324	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	111.4980	0.322	2	111.4980	0.104	2	111.4980	0.104	2	111.4980	0.104	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC3)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,1|O<2>,2|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC3)(O)	107.0680	0.000	1	107.0680	0.000	1	110.5431	3.646	8	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	112.1360	0.000	1	112.1360	0.000	1	110.5431	3.646	8	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHO)(O)	108.7160	0.000	1	108.7160	0.000	1	110.5431	3.646	8	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	112.6540	0.000	1	112.6540	0.000	1	110.5431	3.646	8	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	111.6680	0.000	1	111.6680	0.000	1	110.5431	3.646	8	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CHHO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CHHO)(O)	110.7010	0.942	3	110.7010	0.887	3	110.5431	3.646	8	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-1:	C[6](PC[5a]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5a]C[5a]N[5a])(C[6]C[6]2H)2(O)	C[6](PC[5a]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5a]C[5a]N[5a])(C[6]C[6]2H)2(O)	112.1600	1.670	4	112.1600	2.789	4	112.1600	2.789	4	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:S-1:	C[6](PC[5a]C[6]S)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	C[6](PC[5a]C[6]S)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	111.8777	2.806	4	111.8777	7.875	4	111.8777	7.875	4	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](PC[6a]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6](PC[6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	110.5093	1.859	16	110.5093	3.456	16	110.5093	3.456	16	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6](PC[6a]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(O)	C[6](PC[6a]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(O)	111.7140	2.568	24	111.7140	6.595	24	111.7140	6.595	24	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:Se-1:	C[6](PC[6a]C[6]Se)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(Se)	C[6](PC[6a]C[6]Se)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(Se)	111.5267	1.378	12	111.5267	1.898	12	111.5267	1.898	12	111.2956	4.560	68	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:B-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OH)	108.7790	0.000	1	108.7790	0.000	1	107.7790	1.075	3	107.7790	1.075	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:B-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OS)	107.2790	0.806	2	107.2790	0.650	2	107.7790	1.075	3	107.7790	1.075	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:3:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6](PC[6a]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(COO)	C[6](PC[6a]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(COO)	113.4890	1.563	4	113.4890	2.443	4	113.4890	2.443	4	112.2506	3.329	16	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:3:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:Ge-3:	C[6](PC[6a]C[6]Ge)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(GeClSn)	C[6](PC[6a]C[6]Ge)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(GeClSn)	111.8815	2.872	4	111.8815	8.247	4	111.8815	8.247	4	112.2506	3.329	16	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:3:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:N-3:	C[6](PC[6a]C[6]N)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(NNiC)	C[6](PC[6a]C[6]N)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(NNiC)	111.8160	1.175	8	111.8160	1.381	8	111.8160	1.381	8	112.2506	3.329	16	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:B-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(CH3)	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	112.2752	5.344	56	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:B-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	107.5860	0.000	1	107.5860	0.000	1	107.5860	0.000	1	112.2752	5.344	56	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:B-4:	C[6](PC[5a]C[6]B)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5a]C[5a]S[5a])(C[6]C[6]2H)2(BH3)	C[6](PC[5a]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5a]C[5a]S[5a])(C[6]C[6]2H)2(BH3)	112.6585	3.323	8	112.6585	11.042	8	112.6585	11.042	8	112.2752	5.344	56	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BC[6a]Cl2)	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BC[6a]Cl2)	113.9562	1.441	4	113.9562	2.077	4	111.8957	4.081	28	112.2752	5.344	56	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BH3)	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2(BH3)	111.5523	1.913	24	111.5523	3.658	24	111.8957	4.081	28	112.2752	5.344	56	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	3:4:4:4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6](PC[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)3	C[6](PC[6a]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)3	113.1338	1.810	18	113.1338	3.278	18	113.1338	3.278	18	112.2752	5.344	56	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6]HH)2(PCl3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(Cl)3	C[6](C[6]C[6]HH)2(PCl3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(Cl)3	110.0088	1.161	4	110.0088	1.348	4	110.0088	1.348	4	110.3559	1.354	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(PH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(PH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(H)3	110.8187	1.216	3	110.8187	1.478	3	110.8187	1.478	3	110.3559	1.354	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(OH)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|N<4>,3|H<1>}	P(C[6]C[6]2H)(OH)(O)2	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	110.5015	2.778	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H)	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	P(C[6]C[6]2H)(OH)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	P(C[6]C[6]2H)(OH)(O)2	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	110.5015	2.778	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(OC[6a])2(O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	P(C[6]C[6]2H)(OC[6a])2(O)	108.6060	0.000	1	108.6060	0.000	1	109.8640	3.165	2	110.5343	2.931	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]HH)2(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(OH)2(O)	C[6](C[6]C[6]HH)2(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(OH)2(O)	111.1220	0.000	1	111.1220	0.000	1	109.8640	3.165	2	110.5343	2.931	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:Se-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(OC[6a])2(Se)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|O<2>,4|H<1>}	P(C[6]C[6]2H)(OC[6a])2(Se)	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	110.5343	2.931	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-2:	C[6](C[6]C[6]HH)2(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(OAl)2(OSi)	C[6](C[6]C[6]HH)2(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(OAl)2(OSi)	111.7500	0.625	2	111.7500	0.391	2	112.5337	0.977	6	112.5337	0.977	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-2:	C[6](C[6]C[6]HH)2(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(OSn)3	C[6](C[6]C[6]HH)2(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(OSn)3	112.9255	0.940	4	112.9255	0.884	4	112.5337	0.977	6	112.5337	0.977	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:O-1:	C[6](C[6]C[6]HH)2(PCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCC)(H)(O)	C[6](C[6]C[6]HH)2(PCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCC)(H)(O)	110.4015	2.230	2	110.4015	4.971	2	110.4015	4.971	2	110.4015	4.971	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:S-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H)	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(S)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(S)	112.9373	0.664	3	112.9373	0.441	3	112.9373	0.441	3	112.3924	3.364	9	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:C-3:O-1:	C[6](C[6]C[6]HH)2(PCOP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	C[6](C[6]C[6]HH)2(PCOP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	112.1200	2.222	6	112.1200	4.938	6	112.1200	4.938	6	112.3924	3.364	9	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:3:3:3:	C[6,6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	P(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	P(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)3	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	110.6620	1.595	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:3:3:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:C-3:	C[6](C[6]C[6]HH)2(PC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCH)3	C[6](C[6]C[6]HH)2(PC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCH)3	111.3540	0.563	2	111.3540	0.317	2	111.3540	0.317	2	110.6620	1.595	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(BH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6]C[6]2H)(BH3)(H)2	107.4930	0.000	1	107.4930	0.000	1	110.6206	3.413	5	110.8107	2.501	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B-4:H-1:H-1:	C[6](C[6]C[6]HH)2(PBHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(BHHP)(H)2	C[6](C[6]C[6]HH)2(PBHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(BHHP)(H)2	111.4025	0.689	4	111.4025	0.475	4	110.6206	3.413	5	110.8107	2.501	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:O-1:	C[6](C[6]C[6]HH)2(PCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCCH)(H)(O)	C[6](C[6]C[6]HH)2(PCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCCH)(H)(O)	111.2860	0.847	2	111.2860	0.718	2	111.2860	0.718	2	110.8107	2.501	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:S-1:	C[6](C[6]C[6]HH)2(PC[6]SS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(SGe[6])(S)	C[6](C[6]C[6]HH)2(PC[6]SS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(SGe[6])(S)	110.5185	1.017	4	110.5185	1.035	4	110.5185	1.035	4	111.1834	2.066	8	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:Se-1:	C[6](C[6]C[6]HH)2(PC[6]Se2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(SeGe[6])(Se)	C[6](C[6]C[6]HH)2(PC[6]Se2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(SeGe[6])(Se)	111.8483	1.615	4	111.8483	2.607	4	111.8483	2.607	4	111.1834	2.066	8	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:Se-2:	C[6](C[6]C[6]HH)2(PC[6]Se2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(SeZn)2	C[6](C[6]C[6]HH)2(PC[6]Se2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(SeZn)2	111.4160	0.618	4	111.4160	0.382	4	111.4160	0.382	4	111.8492	3.662	8	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:S-2:S-2:	C[6](C[6]C[6]HH)2(PPSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(PC[6]SS)(SLi)2	C[6](C[6]C[6]HH)2(PPSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]SS)(SLi)2	112.2825	2.768	4	112.2825	7.662	4	112.2825	7.662	4	111.8492	3.662	8	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:S-1:	C[6](C[6]C[6]HH)2(PC[6]CS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]C)(S)	C[6](C[6]C[6]HH)2(PC[6]CS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]C)(S)	111.9755	3.415	4	111.9755	11.663	4	111.9085	6.843	12	111.9329	5.830	20	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:S-1:	C[6](C[6]C[6]HH)2(PC[6]CS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CNN)(S)	C[6](C[6]C[6]HH)2(PC[6]CS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CNN)(S)	111.6112	2.493	4	111.6112	6.217	4	111.9085	6.843	12	111.9329	5.830	20	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:S-1:	C[6](C[6]C[6]HH)2(PC[6]CS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CNS)(S)	C[6](C[6]C[6]HH)2(PC[6]CS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CNS)(S)	112.1388	2.649	4	112.1388	7.016	4	111.9085	6.843	12	111.9329	5.830	20	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:Se-1:	C[6](C[6]C[6]HH)2(PC[6]SeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CNN)(Se)	C[6](C[6]C[6]HH)2(PC[6]SeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CNN)(Se)	111.9694	2.251	8	111.9694	5.068	8	111.9694	5.068	8	111.9329	5.830	20	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:S-2:	C[6](C[6]C[6]HH)2(PC[6]CS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CNS)(SCu)	C[6](C[6]C[6]HH)2(PC[6]CS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CNS)(SCu)	112.5480	1.213	4	112.5480	1.471	4	112.5480	1.471	4	112.5480	1.471	4	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:C-4:	C[6](C[6]C[6]HH)2(PC[6]CP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(PC[6a]P)(CH3)	C[6](C[6]C[6]HH)2(PC[6]CP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PC[6a]P)(CH3)	112.9698	1.289	12	112.9698	1.661	12	112.9698	1.661	12	112.9698	1.661	12	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(PC[3]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	C[6](C[6]C[6]HH)2(PC[3]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	111.1526	1.243	8	111.1526	1.544	8	111.1526	1.544	8	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B-4:B-4:H-1:	C[6](C[6]C[6]HH)2(PBBH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(BHHP)(BH3)(H)	C[6](C[6]C[6]HH)2(PBBH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(BHHP)(BH3)(H)	112.6180	2.763	2	112.6180	7.636	2	112.6180	7.636	2	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC3)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	P(C[6]C[6]2H)(CC3)(CH3)(O)	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BH3)(H)	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	P(C[6]C[6]2H)2(BH3)(H)	114.9980	0.000	1	112.5597	4.941	3	112.1179	2.588	11	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BH3)(H)	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BH3)(H)	111.3405	0.982	2	112.5597	4.941	3	112.1179	2.588	11	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BHHP)(H)	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BHHP)(H)	111.9523	1.473	8	111.9523	2.171	8	112.1179	2.588	11	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(PC[6]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CCHH)(H)	C[6](C[6]C[6]HH)2(PC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CCHH)(H)	112.0097	1.798	4	112.0097	3.234	4	111.4573	7.139	8	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(PC[6]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]3)(H)	C[6](C[6]C[6]HH)2(PC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]3)(H)	110.9047	3.551	4	110.9047	12.609	4	111.4573	7.139	8	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)2(PC[6]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CCHH)(O)	C[6](C[6]C[6]HH)2(PC[6]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CCHH)(O)	112.6142	1.564	4	112.6142	2.447	4	112.6142	2.447	4	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(PC[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(H)	C[6](C[6]C[6]HH)2(PC[6]2H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(H)	112.5899	1.506	14	112.5899	2.267	14	112.5899	2.267	14	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:I-1:	C[6](C[6]C[6]HH)2(PC[6]2I)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(I)	C[6](C[6]C[6]HH)2(PC[6]2I)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(I)	112.8307	0.930	6	112.8307	0.865	6	112.8307	0.865	6	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	P(C[6]C[6]2H)3(O)	114.6970	0.266	2	114.6970	0.071	2	112.4504	5.589	28	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(PC[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(O)	C[6](C[6]C[6]HH)2(PC[6]2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(O)	112.2776	2.366	26	112.2776	5.599	26	112.4504	5.589	28	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:S-1:	C[6](C[6]C[6]HH)2(PC[6]2S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(S)	C[6](C[6]C[6]HH)2(PC[6]2S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(S)	113.3950	2.639	6	113.3950	6.963	6	113.3950	6.963	6	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:Se-1:	C[6](PC[5]C[6]Se)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5]C[5]2Fe)(C[6]C[6]2H)2(Se)	C[6](PC[5]C[6]Se)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5]C[5]2Fe)(C[6]C[6]2H)2(Se)	112.2338	0.713	4	112.2338	0.509	4	112.2338	0.509	4	112.2924	3.917	92	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:P-2:	C[6](C[6]C[6]HH)2(PC[6]CP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CH3)(PP)	C[6](C[6]C[6]HH)2(PC[6]CP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CH3)(PP)	113.2283	1.461	8	113.2283	2.134	8	113.2283	2.134	8	113.0554	4.033	85	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CC)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(CC)	112.4619	1.552	24	112.4619	2.410	24	112.4619	2.410	24	113.0554	4.033	85	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)2(PC[6]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(NN)	C[6](C[6]C[6]HH)2(PC[6]2N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(NN)	113.3361	1.946	11	113.3361	3.785	11	113.1882	4.133	17	113.0554	4.033	85	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)2(PC[6]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(NSi)	C[6](C[6]C[6]HH)2(PC[6]2N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(NSi)	112.9172	2.349	6	112.9172	5.520	6	113.1882	4.133	17	113.0554	4.033	85	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)2(PC[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(OAm)	C[6](C[6]C[6]HH)2(PC[6]2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(OAm)	113.2463	2.922	18	113.2463	8.535	18	113.2463	8.535	18	113.0554	4.033	85	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:Se-2:	C[6](C[6]C[6]HH)2(PC[6]2Se)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(SeC[6a])	C[6](C[6]C[6]HH)2(PC[6]2Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(SeC[6a])	113.3038	1.829	6	113.3038	3.345	6	113.4536	2.625	18	113.0554	4.033	85	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:Se-2:	C[6](C[6]C[6]HH)2(PC[6]2Se)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(SeN)	C[6](C[6]C[6]HH)2(PC[6]2Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(SeN)	113.5285	1.587	12	113.5285	2.519	12	113.4536	2.625	18	113.0554	4.033	85	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BH3)(CNN)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BH3)(CNN)	111.9040	1.755	8	111.9040	3.078	8	111.9040	3.078	8	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CCP)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(CCP)	114.3097	2.151	18	114.3097	4.625	18	114.2576	3.906	42	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(CC[6a]P)	114.9820	1.855	12	114.9820	3.440	12	114.2576	3.906	42	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CSS)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(CSS)	113.4549	1.640	12	113.4549	2.691	12	114.2576	3.906	42	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(PC[6]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(NHN)	C[6](C[6]C[6]HH)2(PC[6]2N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(NHN)	113.2665	1.743	6	113.2665	3.039	6	113.7367	4.520	18	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(PC[6]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(NNiC)	C[6](C[6]C[6]HH)2(PC[6]2N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(NNiC)	113.9718	2.329	12	113.9718	5.423	12	113.7367	4.520	18	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(PC[6]2P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(PC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]2P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(PC[6a]2)	113.4772	1.006	6	113.4772	1.011	6	113.4772	1.011	6	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:S-3:	C[6](C[6]C[6]HH)2(PC[6]2S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(SOO)	C[6](C[6]C[6]HH)2(PC[6]2S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(SOO)	113.2183	1.381	6	113.2183	1.907	6	113.2183	1.907	6	113.7685	3.966	80	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC3)3	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,4|C<3>,4|H<1>}	P(C[6]C[6]2H)(CC3)3	114.9340	0.000	1	114.9340	0.000	1	114.3833	8.637	3	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC3)3	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	P(C[6]C[6]2H)(CC3)3	117.0080	0.000	1	117.0080	0.000	1	114.3833	8.637	3	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CH3)3	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	P(C[6]C[6]2H)(CH3)3	111.2080	0.000	1	111.2080	0.000	1	114.3833	8.637	3	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:B-4:C-4:	C[6](C[6]C[6]HH)2(PBCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	C[6](C[6]C[6]HH)2(PBCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	112.2360	0.914	2	112.2360	0.835	2	112.2360	0.835	2	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:B-4:	C[6](C[6]C[6]HH)2(PBCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCHH)2(BH3)	C[6](C[6]C[6]HH)2(PBCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCHH)2(BH3)	111.5175	0.902	2	111.5175	0.813	2	112.0395	0.503	6	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:B-4:	C[6](C[6]C[6]HH)2(PBCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC[5]CH)2(BH3)	C[6](C[6]C[6]HH)2(PBCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CC[5]CH)2(BH3)	112.3005	0.544	4	112.3005	0.296	4	112.0395	0.503	6	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC3)3	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,4|H<1>}	P(C[6]C[6]2H)(CC3)3	115.4530	0.000	1	115.4530	0.000	1	114.0318	2.591	4	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2	P(C[6]C[6]2H)(CC3)3	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	P(C[6]C[6]2H)(CC3)3	115.2400	0.000	1	115.2400	0.000	1	114.0318	2.591	4	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2	P(C[6]C[6]2H)(CH3)3	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	P(C[6]C[6]2H)(CH3)3	112.0710	0.000	1	112.0710	0.000	1	114.0318	2.591	4	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(PC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(PC3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|H<1>,1|O<1>,1|W<7>}	P(C[6]C[6]2H)(CH3)3	113.3630	0.000	1	113.3630	0.000	1	114.0318	2.591	4	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BBII)(CH3)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BBII)(CH3)	113.1757	1.470	4	113.1757	2.161	4	113.7624	2.714	16	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BBr2H)(CCHH)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BBr2H)(CCHH)	115.1428	2.417	4	115.1428	5.844	4	113.7624	2.714	16	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BCl2B)(CH3)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BCl2B)(CH3)	113.3656	0.958	8	113.3656	0.919	8	113.7624	2.714	16	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:B-4:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CCHH)(BH3)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CCHH)(BH3)	112.1271	2.061	23	112.1271	4.249	23	112.6085	5.070	35	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:B-4:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	113.8020	2.730	8	113.8020	7.456	8	112.6085	5.070	35	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:B-4:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CHHN)(BH3)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CHHN)(BH3)	112.9892	1.770	4	112.9892	3.132	4	112.6085	5.070	35	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]HH)2	C[6](C[6]C[6]HH)2(PC[6]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]HH)2	113.3015	2.215	4	113.3015	4.908	4	113.3015	4.908	4	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:B-4:	C[6](C[6]C[6]HH)2(PC[6]2B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(BCCH)	C[6](C[6]C[6]HH)2(PC[6]2B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(BCCH)	113.8247	2.060	6	113.8247	4.246	6	115.0847	6.338	24	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:B-4:	C[6](C[6]C[6]HH)2(PC[6]2B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(BC[6a]3)	C[6](C[6]C[6]HH)2(PC[6]2B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(BC[6a]3)	115.5047	2.565	18	115.5047	6.580	18	115.0847	6.338	24	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CCHH)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(CCHH)	113.9849	1.669	18	113.9849	2.787	18	113.8388	3.916	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CH3)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(CH3)	112.7738	2.544	6	112.7738	6.470	6	113.8388	3.916	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CRuCH)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(CRuCH)	113.7887	1.533	4	113.7887	2.350	4	113.8388	3.916	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(CRuCH)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	P(C[6]C[6]2H)3(CRuCH)	117.7990	0.000	1	117.7990	0.000	1	113.8388	3.916	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:Ga-4:	C[6](C[6]C[6]HH)2(PC[6]2Ga)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(GaCl3)	C[6](C[6]C[6]HH)2(PC[6]2Ga)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(GaCl3)	112.9580	1.918	6	112.9580	3.681	6	112.9580	3.681	6	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:In-4:	C[6](C[6]C[6]HH)2(PC[6]2In)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(InH3)	C[6](C[6]C[6]HH)2(PC[6]2In)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(InH3)	112.0408	2.366	6	112.0408	5.599	6	112.9503	4.872	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:In-4:	C[6](C[6]C[6]HH)2(PC[6]2In)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(InS3)	C[6](C[6]C[6]HH)2(PC[6]2In)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(InS3)	113.3132	2.009	11	113.3132	4.038	11	112.9503	4.872	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:In-4:	C[6](C[6]C[6]HH)2(PC[6]2In)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(InSe3)	C[6](C[6]C[6]HH)2(PC[6]2In)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(InSe3)	113.1912	2.635	6	113.1912	6.943	6	112.9503	4.872	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:In-4:	C[6](C[6]C[6]HH)2(PC[6]2In)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3(InTe3)	C[6](C[6]C[6]HH)2(PC[6]2In)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(InTe3)	112.9537	2.305	6	112.9537	5.314	6	112.9503	4.872	29	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5a]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](PB[5a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(B[5a]O[5a]2Cl)(C[6]C[6]2H)3	C[6](PB[5a]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(B[5a]O[5a]2Cl)(C[6]C[6]2H)3	113.5367	3.252	6	113.5367	10.578	6	113.5367	10.578	6	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	C[6](PC[6,6]C[6]B)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)2(BH3)	C[6](PC[6,6]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)2(BH3)	112.8983	4.448	4	112.8983	19.788	4	112.8983	19.788	4	113.4534	5.404	168	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:1:1:	5:4:4:4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[3,3,5,3x6]-5:C[6]-4:C[6]-4:C[6]-4:	C[6](PB[3,3,5,3x6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]2H)3	C[6](PB[3,3,5,3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]2H)3	114.2073	1.976	6	114.2073	3.903	6	114.2073	3.903	6	114.2073	3.903	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:2:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H)	P(C[6]C[6]N[6]H)(OH)(O)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H){1|C<4>,4|H<1>}	P(C[6]C[6]N[6]H)(OH)(O)2	116.5560	0.000	1	116.5560	0.000	1	116.5560	0.000	1	116.5560	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:3:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H)	P(C[6]C[6]2H)(OC)2(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H){1|H<1>,1|O<2>,4|C<3>}	P(C[6]C[6]2H)(OC)2(O)	117.6880	0.000	1	117.6880	0.000	1	117.6880	0.000	1	116.0810	5.165	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:3:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	P(C[6]C[6]2H)(OC[6a])2(O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(OC[6a])2(O)	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	116.0810	5.165	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	111.3868	0.701	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	111.0460	0.474	4	111.0460	0.225	4	111.0460	0.225	4	111.3868	0.701	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(O)	111.2210	0.000	1	111.2210	0.000	1	111.2210	0.000	1	111.3868	0.701	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:3:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	111.7105	0.725	2	111.7105	0.525	2	111.7105	0.525	2	111.7105	0.525	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	112.1280	0.000	1	112.1280	0.000	1	111.8076	0.403	7	111.8076	0.403	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHO)(O)	112.5420	0.000	1	112.5420	0.000	1	111.8076	0.403	7	111.8076	0.403	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	112.6500	0.000	1	112.6500	0.000	1	111.8076	0.403	7	111.8076	0.403	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	111.6050	0.000	1	111.6050	0.000	1	111.8076	0.403	7	111.8076	0.403	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CHHO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CHHO)(O)	111.2427	0.185	3	111.2427	0.034	3	111.8076	0.403	7	111.8076	0.403	7	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:B-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OH)	113.2420	0.000	1	113.2420	0.000	1	114.3570	1.970	3	114.3570	1.970	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:B-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OS)	114.9145	1.440	2	114.9145	2.075	2	114.3570	1.970	3	114.3570	1.970	3	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:B-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(CH3)	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	113.6630	0.824	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:B-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	113.6630	0.824	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:O-2:O-1:O-1:	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	P(C[6]C[6]N[6]H)(OH)(O)2	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	P(C[6]C[6]N[6]H)(OH)(O)2	115.9808	1.032	5	115.9808	1.065	5	115.9808	1.065	5	115.9808	1.065	5	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	4:2:2:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	P(C[6]C[6]N[6]H)(OH)2(O)	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	P(C[6]C[6]N[6]H)(OH)2(O)	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:B-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6]C[6]2H)(BH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(BH3)(H)2	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H)	P(C[6]C[6]2H)(CC3)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CC3)(CH3)(O)	116.1050	0.000	1	116.1050	0.000	1	116.1050	0.000	1	116.1050	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:2:	3:3:4:4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:B-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(BH3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)(BH3)	114.6215	0.385	2	114.6215	0.149	2	114.6215	0.149	2	114.6215	0.149	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:2:	3:4:1:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	113.5607	3.266	4	113.5607	10.670	4	113.5607	10.670	4	113.5607	10.670	4	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	P(C[6]C[6]2H)3(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	P(C[6]C[6]2H)3(O)	114.0940	2.041	2	114.0940	4.164	2	114.0940	4.164	2	114.0940	4.164	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:3:	4:3:4:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	P(C[6]C[6]2C)(OC)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	P(C[6]C[6]2C)(OC)2(O)	109.7700	0.000	1	109.7700	0.000	1	110.5240	1.137	2	110.5240	1.137	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:3:	4:3:4:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)2(PO3)(CHN)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	P(C[6]C[6]2C)(OC)2(O)	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	P(C[6]C[6]2C)(OC)2(O)	111.2780	0.000	1	111.2780	0.000	1	110.5240	1.137	2	110.5240	1.137	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:3:	4:4:1:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	P(C[6]C[6]2C)(OC)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	P(C[6]C[6]2C)(OC)2(O)	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:3:	4:4:4:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)2(PO3)(CHN)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H)	P(C[6]C[6]2C)(OC)2(O)	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	P(C[6]C[6]2C)(OC)2(O)	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:4:	4:3:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2C)(O)	106.0200	0.000	1	106.0200	0.000	1	106.0200	0.000	1	106.0200	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:4:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2C)(O)	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:4:	4:4:1:1:	3:3:4:4:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:B-4:	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2C)(BH3)	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2C)(BH3)	110.1190	4.388	2	110.1190	19.257	2	110.1190	19.257	2	110.1190	19.257	2	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2	P(C[6]C[5,6]C[6]C)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2{1|H<1>,4|C<4>}	P(C[6]C[5,6]C[6]C)2(H)2	104.6055	0.415	2	104.6055	0.172	2	104.6055	0.172	2	106.8268	12.588	6	112.5384	5.655	771	112.4355	5.981	812
466	466	992	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	P(C[6]C[6]2C)2(H)2	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2C)2(H)2	107.9375	3.998	4	107.9375	15.988	4	107.9375	15.988	4	106.8268	12.588	6	112.5384	5.655	771	112.4355	5.981	812
466	466	998	6:SP3_SP3_SP3	C[6]	C[6]	N[5a,6]	4:4:1:1:	4:4:1:1:	3:4:4:2:	N[5a,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a])	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a]){2|C<3>,2|C<4>,5|H<1>}	111.0745	0.129	2	111.0745	0.017	2	111.0745	0.017	2	111.0745	0.017	2	111.0745	0.017	2	111.0745	0.017	2
466	466	999	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N[5]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){4|C<4>,6|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	110.4277	0.093	3	110.4277	0.009	3	110.4277	0.009	3	110.5095	0.033	4	111.1946	0.561	8	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2{2|O<1>,3|C<4>,3|H<1>}	110.7550	0.000	1	110.7550	0.000	1	110.7550	0.000	1	110.5095	0.033	4	111.1946	0.561	8	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,5]	4:4:4:1:	4:4:4:1:	4:4:4:4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	111.8053	0.061	3	111.8053	0.004	3	111.8053	0.004	3	111.8798	0.025	4	111.1946	0.561	8	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,5]	4:4:4:1:	4:4:4:1:	4:4:4:4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2{2|O<1>,3|C<4>,3|H<1>}	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	111.8798	0.025	4	111.1946	0.561	8	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H)	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H){12|H<1>,2|C<4>}	109.5845	2.995	2	109.5845	8.968	2	109.5845	8.968	2	109.5845	8.968	2	109.5845	8.968	2	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.9239	2.552	7	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5]	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,7|C<4>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH){1|C<3>,1|C<4>,8|H<1>}	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	110.9239	2.552	7	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){3|C<4>,7|H<1>}	111.0420	0.000	1	111.0420	0.000	1	111.1490	0.023	2	111.1490	0.023	2	110.9239	2.552	7	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|B<4>,2|C<4>,7|H<1>}	111.2560	0.000	1	111.2560	0.000	1	111.1490	0.023	2	111.1490	0.023	2	110.9239	2.552	7	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH){1|C<3>,1|C<4>,8|H<1>}	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	110.9239	2.552	7	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H){3|C<3>,5|C<4>,6|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){3|C<4>,7|H<1>}	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	109.0960	0.004	2	110.9239	2.552	7	110.9729	1.865	19
466	466	999	0:SP3_SP3_SP3	C[6]	C[6]	N[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|B<4>,2|C<4>,7|H<1>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.0960	0.004	2	110.9239	2.552	7	110.9729	1.865	19
466	466	999	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	106.9110	3.684	2	106.9110	13.572	2	106.9110	13.572	2	106.9110	13.572	2	108.5225	10.637	4	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[5,6,6]	4:4:4:1:	4:4:1:1:	6:4:4:1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|C<4>,2|N<4>,3|O<2>,4|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2{1|Ga<6>,3|C<4>,6|H<1>}	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	110.1340	2.820	2	110.1340	7.952	2	110.1340	7.952	2	110.1340	7.952	2	108.5225	10.637	4	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.6355	0.253	2	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H)	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H){3|C<4>,4|H<1>}	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.6355	0.253	2	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,6,6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	N[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5,6]	4:3:4:1:	4:4:4:1:	4:4:4:4:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6,6]	N[5,6]	4:4:1:1:	4:4:4:1:	4:2:4:4:	N[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2{4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,5,6,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6,6]	4:4:1:1:	4:3:1:1:	4:3:4:1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	111.7892	1.971	13	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2{1|H<1>,4|C<4>}	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	111.7892	1.971	13	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	112.2488	0.628	4	112.2488	0.394	4	111.4680	0.875	8	111.4680	0.875	8	111.7892	1.971	13	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)2(H)2	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6,6]HH)2(H)2{5|C<4>}	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	110.6873	0.150	4	110.6873	0.023	4	111.4680	0.875	8	111.4680	0.875	8	111.7892	1.971	13	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	113.6813	0.448	3	113.6813	0.200	3	113.6813	0.200	3	113.6813	0.200	3	111.7892	1.971	13	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	3:4:1:1:	3:4:3:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	110.1905	0.370	2	110.1905	0.137	2	110.5280	0.410	3	110.5280	0.410	3	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	3:4:1:1:	3:4:3:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	111.2030	0.000	1	111.2030	0.000	1	110.5280	0.410	3	110.5280	0.410	3	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	112.7290	0.000	1	112.4097	0.101	3	112.4097	0.101	3	112.4097	0.101	3	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	112.2500	0.222	2	112.4097	0.101	3	112.4097	0.101	3	112.4097	0.101	3	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:2:1:1:	4:4:4:2:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-2:	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5])	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]){1|O<1>,2|O<2>,5|H<1>}	110.8320	0.492	2	110.8320	0.242	2	110.8320	0.242	2	110.8320	0.242	2	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:2:4:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H){2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:3:1:1:	5:4:2:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	In[5,5,6,6]-5:C[6]-4:O[5]-2:C-4:	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3)	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2{1|Ga<4>,1|N<4>,2|C<4>,2|O<3>}	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2{1|Ga<4>,1|In<5>,1|C<4>,1|O<2>}	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3){1|Ga<4>,1|O<2>,2|H<1>,2|N<3>,4|C<4>}	114.9335	3.012	2	114.9335	9.070	2	114.9335	9.070	2	114.9335	9.070	2	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	112.4700	0.000	1	112.4700	0.000	1	112.4700	0.000	1	112.4700	0.000	1	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5,5a]-4:C[5,5]-3:C[6]-4:C[6]-4:	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<4>,2|C<3>,2|N<3>,4|H<1>}	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	112.2660	0.404	2	112.2660	0.164	2	112.2660	0.164	2	112.2660	0.164	2	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{2|H<1>,3|C<4>}	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	112.6600	0.000	1	112.6600	0.000	1	112.9390	0.156	2	111.2411	2.937	14	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	113.2180	0.000	1	113.2180	0.000	1	112.9390	0.156	2	111.2411	2.937	14	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	112.0110	0.000	1	112.0110	0.000	1	110.7518	2.569	11	111.2411	2.937	14	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	108.3380	0.570	2	108.3380	0.325	2	110.7518	2.569	11	111.2411	2.937	14	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|O<2>,5|H<1>}	109.3190	0.000	2	109.3190	0.000	2	110.7518	2.569	11	111.2411	2.937	14	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]N[5,6]HH)2(H)2{1|H<1>,3|C<4>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	111.8242	0.473	6	111.8242	0.224	6	110.7518	2.569	11	111.2411	2.937	14	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	111.2411	2.937	14	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	111.6695	1.156	2	111.6695	1.337	2	111.6695	1.337	2	112.1121	0.502	16	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|C<4>,8|H<1>}	112.9135	0.999	2	112.9135	0.998	2	112.9135	0.998	2	112.1121	0.502	16	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,6|H<1>}	111.6700	0.622	2	111.6700	0.387	2	111.7823	0.590	4	112.1121	0.502	16	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	111.8945	1.155	2	111.8945	1.333	2	111.7823	0.590	4	112.1121	0.502	16	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|N<4>,8|H<1>}	112.1873	0.425	8	112.1873	0.181	8	112.1873	0.181	8	112.1121	0.502	16	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	111.4370	0.000	1	111.4370	0.000	1	111.4370	0.000	1	111.4370	0.000	1	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	106.7160	0.000	1	106.7160	0.000	1	108.0913	3.282	3	108.0913	3.282	3	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	107.4140	0.000	1	107.4140	0.000	1	108.0913	3.282	3	108.0913	3.282	3	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	110.1440	0.000	1	110.1440	0.000	1	108.0913	3.282	3	108.0913	3.282	3	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	104.7340	0.000	1	105.5050	1.189	2	105.5050	1.189	2	105.5050	1.189	2	111.2865	4.257	54	111.2153	4.693	77
466	466	999	6:SP3_SP3_SP3	C[6]	C[6]	N[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	106.2760	0.000	1	105.5050	1.189	2	105.5050	1.189	2	105.5050	1.189	2	111.2865	4.257	54	111.2153	4.693	77
466	474	474	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:2:1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	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[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[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	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[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5]	3:3:4:4:	4:4:3:1:	4:3:2:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	109.1835	0.911	2	109.1835	0.831	2	109.1835	0.831	2	109.1835	0.831	2	109.1835	0.831	2	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6,6]	C[5,5,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	115.7540	10.493	4	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:2:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	115.7540	10.493	4	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	117.0600	0.000	1	117.0600	0.000	1	117.0600	0.000	1	117.0600	0.000	1	115.7540	10.493	4	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	115.7540	10.493	4	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:2:	4:4:3:2:	4:2:4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	110.2910	2.324	2	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:2:	4:4:3:2:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	110.2910	2.324	2	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	113.7060	0.000	1	113.7060	0.000	1	112.7957	1.301	6	112.7957	1.301	6	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	112.9360	0.000	1	112.9360	0.000	1	112.7957	1.301	6	112.7957	1.301	6	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	111.9180	0.000	1	111.9180	0.000	1	112.7957	1.301	6	112.7957	1.301	6	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	112.7380	1.561	3	112.7380	2.438	3	112.7957	1.301	6	112.7957	1.301	6	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	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[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:3:3:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	113.2990	0.000	1	113.2990	0.000	1	113.2990	0.000	1	113.2990	0.000	1	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:2:1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	113.2990	0.000	1	113.2990	0.000	1	113.6483	0.093	4	113.6483	0.093	4	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:2:1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	113.7647	0.241	3	113.7647	0.058	3	113.6483	0.093	4	113.6483	0.093	4	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	112.9465	1.713	14	113.1198	6.303	25
466	474	474	0:SP3_SP3_SP3	C[6]	C[5]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O[5]-2:O[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[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	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){1|N<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<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>}	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	113.1198	6.303	25
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	3:4:4:2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	111.1940	0.095	2	111.2667	0.020	3	111.2667	0.020	3	111.2667	0.020	3	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	3:4:4:2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	111.4120	0.000	1	111.2667	0.020	3	111.2667	0.020	3	111.2667	0.020	3	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	109.8770	0.000	1	109.8770	0.000	1	110.2095	0.221	2	110.2095	0.221	2	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	110.5420	0.000	1	110.5420	0.000	1	110.2095	0.221	2	110.2095	0.221	2	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:3:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(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]HH)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|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){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H){1|C<3>,1|H<1>,6|C<4>}	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(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]HH)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	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[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	109.1095	0.136	2	109.1095	0.019	2	108.8992	0.088	4	108.8992	0.088	4	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(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)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	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[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	108.6890	0.264	2	108.6890	0.070	2	108.8992	0.088	4	108.8992	0.088	4	109.8018	1.492	11	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,3x6]	4:4:4:1:	3:4:4:2:	3:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	110.3820	0.312	3	110.3820	0.098	3	110.3820	0.098	3	110.3820	0.098	3	110.3820	0.098	3	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	3:4:4:4:	4:4:3:1:	4:4:3:1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	104.5440	0.055	2	104.5440	0.003	2	104.5440	0.003	2	104.5440	0.003	2	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-2:Cl-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl)	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl){1|Cl<1>,1|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	113.4460	12.640	2	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	115.9600	0.000	1	115.9600	0.000	1	115.9600	0.000	1	113.4460	12.640	2	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,5|H<1>}	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:2:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH){2|C<3>,2|C<4>,3|H<1>}	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	106.8899	2.352	10	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	105.6630	0.000	1	105.6630	0.000	1	106.4899	0.846	9	106.8899	2.352	10	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	106.9808	0.935	4	106.9413	0.553	6	106.4899	0.846	9	106.8899	2.352	10	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	106.8625	0.347	2	106.9413	0.553	6	106.4899	0.846	9	106.8899	2.352	10	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.5490	0.570	2	105.5490	0.325	2	106.4899	0.846	9	106.8899	2.352	10	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	105.3750	0.099	2	105.3750	0.010	2	106.6527	4.902	3	106.6527	4.902	3	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	109.2080	0.000	1	109.2080	0.000	1	106.6527	4.902	3	106.6527	4.902	3	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:2:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:3:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:N-3:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:3:4:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	104.2720	0.231	2	104.2720	0.053	2	104.2720	0.053	2	104.2720	0.053	2	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	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-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H){2|C<4>,2|O<2>,5|H<1>}	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	107.3818	7.451	25	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[4x6]	C[5,3x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[4x6]	C[5,6,6]	C[5,6,6]	4:4:3:4:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:C[6]-4:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,2|O<1>,7|H<1>}	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	103.7950	0.000	1	103.7950	0.000	1	103.7950	0.000	1	103.7950	0.000	1	103.7950	0.000	1	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,3x6]	C[5,6,6]	4:4:2:1:	4:4:4:4:	4:4:2:2:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-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:O[5]-2:O-2:	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[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[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	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[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	108.6270	0.162	6	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,3x6]	C[5,6,6]	4:4:3:1:	4:3:4:3:	4:4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	108.6490	0.000	1	108.6490	0.000	1	108.5362	0.141	5	108.5362	0.141	5	108.6270	0.162	6	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,3x6]	C[5,6,6]	4:4:3:1:	4:3:4:3:	4:4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	108.5080	0.427	4	108.5080	0.182	4	108.5362	0.141	5	108.5362	0.141	5	108.6270	0.162	6	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5,4x6]	C[5,5,6,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4: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	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[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	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>}	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[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	112.3580	0.066	2	112.3580	0.004	2	112.3580	0.004	2	112.2296	0.031	5	112.2296	0.031	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5,4x6]	C[5,5,6,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-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	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[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	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[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[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){3|C<4>,4|H<1>}	112.0510	0.117	2	112.0510	0.014	2	112.1440	0.033	3	112.2296	0.031	5	112.2296	0.031	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5,4x6]	C[5,5,6,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-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	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[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	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[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[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){3|C<4>,4|H<1>}	112.3300	0.000	1	112.3300	0.000	1	112.1440	0.033	3	112.2296	0.031	5	112.2296	0.031	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5,6,6]	C[5,5,4x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-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	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	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{2|C<3>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,2|I<1>,3|C<4>}	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>}	111.2320	0.000	1	111.6753	0.096	4	111.6753	0.096	4	111.6753	0.096	4	111.6753	0.096	4	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5,6,6]	C[5,5,4x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-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	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	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{2|C<3>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){3|C<4>,4|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{4|C<4>,6|H<1>}	111.8230	0.112	3	111.6753	0.096	4	111.6753	0.096	4	111.6753	0.096	4	111.6753	0.096	4	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5,6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	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[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[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	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[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[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5x6]	C[5,5,6,6]	4:4:1:1:	4:4:4:4:	4:3:4:2:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	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[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[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[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[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[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	112.9780	0.000	2	112.9780	0.000	2	112.6260	0.333	4	112.6260	0.333	4	112.6260	0.333	4	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5x6]	C[5,5,6,6]	4:4:1:1:	4:4:4:4:	4:3:4:2:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	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[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[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[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[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[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	112.2740	0.709	2	112.2740	0.502	2	112.6260	0.333	4	112.6260	0.333	4	112.6260	0.333	4	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,5x6]	C[5,6,6]	4:4:2:1:	4:4:4:4:	4:4:3:1:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3: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)	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[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	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[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[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,3x6]	4:4:1:1:	4:4:4:1:	3:4:3:4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,8|C<4>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH){3|C<4>,7|H<1>}	107.5650	0.000	1	107.5650	0.000	1	106.9728	0.148	5	106.9728	0.148	5	106.9728	0.148	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,3x6]	4:4:1:1:	4:4:4:1:	3:4:3:4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	106.5790	0.000	1	106.8713	0.064	3	106.9728	0.148	5	106.9728	0.148	5	106.9728	0.148	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,3x6]	4:4:1:1:	4:4:4:1:	3:4:3:4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	107.0030	0.000	1	106.8713	0.064	3	106.9728	0.148	5	106.9728	0.148	5	106.9728	0.148	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,3x6]	4:4:1:1:	4:4:4:1:	3:4:3:4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	107.0320	0.000	1	106.8713	0.064	3	106.9728	0.148	5	106.9728	0.148	5	106.9728	0.148	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,3x6]	4:4:1:1:	4:4:4:1:	3:4:3:4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	106.6850	0.000	1	106.6850	0.000	1	106.9728	0.148	5	106.9728	0.148	5	106.9728	0.148	5	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	111.7600	0.000	1	111.7600	0.000	1	111.5230	0.091	3	111.5230	0.091	3	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	111.6260	0.000	1	111.4045	0.098	2	111.5230	0.091	3	111.5230	0.091	3	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	111.1830	0.000	1	111.4045	0.098	2	111.5230	0.091	3	111.5230	0.091	3	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(CN)	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2{2|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(CN){1|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<2>,3|C<4>}	113.1820	0.000	1	113.1820	0.000	1	113.1820	0.000	1	113.1820	0.000	1	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2{2|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){2|O<2>,6|C<4>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){1|H<1>,1|O<2>,6|C<4>}	111.7080	0.000	1	111.1695	0.580	2	111.1695	0.580	2	111.1695	0.580	2	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){2|O<2>,6|C<4>}	110.6310	0.000	1	111.1695	0.580	2	111.1695	0.580	2	111.1695	0.580	2	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[5,6]-4: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	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[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	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[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[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:2:4:	4:2:2:3:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<4>,2|C<3>,2|O<2>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:2:4:	4:2:2:4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	108.0850	0.000	1	108.2838	0.030	5	108.2838	0.030	5	108.2838	0.030	5	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:2:4:	4:2:2:4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	108.3335	0.155	4	108.2838	0.030	5	108.2838	0.030	5	108.2838	0.030	5	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:2:4:	4:4:2:2:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3){1|H<1>,2|C<4>,2|O<2>}	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	109.6300	0.130	2	109.6300	0.017	2	109.6300	0.017	2	109.6300	0.017	2	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:3:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:3:3:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){2|C<3>,5|C<4>,5|H<1>}	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.0750	0.046	2	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	109.0750	0.046	2	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.5298	0.355	9	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	109.3460	0.000	1	109.3460	0.000	1	109.5897	0.368	8	109.5298	0.355	9	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	109.7355	0.672	2	109.6246	0.418	7	109.5897	0.368	8	109.5298	0.355	9	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	109.5620	0.000	1	109.6246	0.418	7	109.5897	0.368	8	109.5298	0.355	9	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	109.5847	0.821	4	109.6246	0.418	7	109.5897	0.368	8	109.5298	0.355	9	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	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[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[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	111.0765	0.350	2	111.0765	0.123	2	111.0765	0.123	2	111.0765	0.123	2	109.8661	2.450	32	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	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)	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]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>}	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[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>}	115.4360	0.116	2	115.4360	0.013	2	115.4360	0.013	2	115.4360	0.013	2	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:1:	3:4:3:2:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H){1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	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[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[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){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|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){1|C<3>,1|O<1>,3|C<4>,5|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){2|C<3>,3|C<4>,5|H<1>}	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	108.8940	0.000	1	108.8940	0.000	1	108.8940	0.000	1	108.8940	0.000	1	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	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[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	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){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	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>}	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[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[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[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){1|C<3>,2|N<3>,3|C<4>,9|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){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	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>}	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	108.1810	0.352	4	108.1810	0.124	4	108.0032	0.303	6	108.0032	0.303	6	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	108.2660	0.000	1	108.2660	0.000	1	108.0032	0.303	6	108.0032	0.303	6	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	107.0290	0.000	1	107.0290	0.000	1	108.0032	0.303	6	108.0032	0.303	6	110.7175	10.731	13	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:2:1:	4:4:4:4:	4:3:4:2:	C[5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	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[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	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){3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|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]){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:2:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	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[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	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[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|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){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	108.5070	0.000	1	108.3880	0.406	6	108.3484	0.240	10	108.3484	0.240	10	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	108.3642	0.709	5	108.3880	0.406	6	108.3484	0.240	10	108.3484	0.240	10	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	108.1750	0.120	2	108.1750	0.014	2	108.3484	0.240	10	108.3484	0.240	10	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	108.5370	0.000	1	108.5370	0.000	1	108.3484	0.240	10	108.3484	0.240	10	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	108.2690	0.000	1	108.2690	0.000	1	108.3484	0.240	10	108.3484	0.240	10	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:4:4:4:	4:4:4:4:	3:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	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[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[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|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){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	108.6175	1.111	2	108.6175	1.234	2	108.6175	1.234	2	108.6175	1.234	2	108.9513	1.376	16	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,3x6]	C[5,6]	4:4:1:1:	4:4:4:2:	2:4:2:4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|O<2>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2	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[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2{10|C<4>,1|C<3>,1|H<1>,1|O<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[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2{1|O<1>,5|C<4>,5|H<1>}	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	114.3635	11.922	2	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:3:4:1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	114.3635	11.922	2	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:1:1:	4:4:2:4:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	113.8042	2.075	10	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:1:1:	4:4:4:2:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	113.9440	0.304	2	113.9440	0.092	2	113.9440	0.092	2	113.9440	0.092	2	113.8042	2.075	10	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:1:1:	4:4:4:2:	4:4:2:2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:C[6]-4:O[5]-2:O[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[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5])	C[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{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5]){1|C<4>,1|S<1>,2|O<2>,6|H<1>}	C[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>}	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	113.8042	2.075	10	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:1:1:	4:4:4:3:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	113.8042	2.075	10	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	113.3900	0.082	2	113.3900	0.007	2	113.3900	0.007	2	114.6162	3.099	4	113.8042	2.075	10	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[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[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2	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{6|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2{1|C<4>,4|O<2>,8|H<1>}	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>}	115.8425	1.809	2	115.8425	3.274	2	115.8425	3.274	2	114.6162	3.099	4	113.8042	2.075	10	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,5,6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	112.6180	0.000	1	112.6180	0.000	1	112.6180	0.000	1	112.6180	0.000	1	113.8042	2.075	10	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2{2|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	109.4405	0.619	4	109.4405	0.383	4	109.4405	0.383	4	109.4405	0.383	4	109.4405	0.383	4	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:1:1:	3:4:4:4:	4:4:2:2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:O[5]-2:O[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[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[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{3|C<3>,4|H<1>,5|C<4>}	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[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>}	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	111.6605	3.323	12	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:2:1:	4:3:4:2:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	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[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	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>}	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[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.6605	3.323	12	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:2:2:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	112.3195	0.696	6	112.3195	0.485	6	112.3195	0.485	6	112.3195	0.485	6	111.6605	3.323	12	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|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]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	111.6605	3.323	12	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|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]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.6605	3.323	12	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:2:1:	4:4:4:2:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C[5]-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)	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[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	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>}	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[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	111.6605	3.323	12	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6,6]	C[5,6]	4:4:3:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	111.6605	3.323	12	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	2:4:4:4:	4:4:3:2:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:3:4:3:	3:3:4:4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	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]H)	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])2(H)2{3|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,7|C<3>}	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>}	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:3:4:4:	3:3:4:4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	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)	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])2(H)2{1|C<4>,4|H<1>,8|C<3>}	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[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>}	121.3770	0.529	2	121.3770	0.280	2	121.3770	0.280	2	121.3770	0.280	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:3:4:4:	3:4:4:4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:C-4:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:3:3:	4:3:4:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[6]-4:N[5]-3:C[5]-4:O[6]-2:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6]){1|N<3>,1|O<1>,4|C<3>}	113.5420	0.304	2	113.5420	0.092	2	113.5420	0.092	2	113.5420	0.092	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:3:3:	4:4:2:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	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{2|C<4>,3|C<3>,8|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	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>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:4:2:	4:2:3:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:4:3:	4:4:2:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:4:4:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC){1|C<3>,2|H<1>,3|C<4>}	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	112.4680	0.074	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:4:4:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	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{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<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>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.4680	0.074	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	3:4:4:4:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[5]-4: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	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[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	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[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[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:3:4:3:	4:4:2:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:2:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:2:1:	3:4:4:3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	113.4860	0.000	1	113.4860	0.000	1	113.4860	0.000	1	112.8860	0.720	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.8860	0.720	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	114.5860	0.000	1	114.5860	0.000	1	114.5860	0.000	1	114.5860	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:3:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H)	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{1|O<1>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H){2|O<2>,3|C<4>,3|H<1>}	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>}	113.3840	0.000	1	113.3840	0.000	1	109.9870	23.079	2	109.9870	23.079	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:3:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H)	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{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	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>}	106.5900	0.000	1	106.5900	0.000	1	109.9870	23.079	2	109.9870	23.079	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2{9|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,3|C<4>}	113.0093	0.437	4	113.0093	0.191	4	113.0093	0.191	4	111.4734	3.571	8	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)2(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.9375	1.361	4	109.9375	1.851	4	109.9375	1.851	4	111.4734	3.571	8	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:3:1:	4:4:3:3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H)	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{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	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>}	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	110.1780	34.462	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	106.0270	0.000	1	106.0270	0.000	1	106.0270	0.000	1	110.1780	34.462	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	107.3410	0.683	2	107.3410	0.467	2	107.3410	0.467	2	107.3410	0.467	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|H<1>,2|O<2>,3|C<4>}	115.0245	1.466	2	115.0245	2.149	2	115.0245	2.149	2	115.0245	2.149	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	114.0826	0.764	5	114.0826	0.583	5	114.0826	0.583	5	112.9116	4.402	7	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	112.9116	4.402	7	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	110.1850	0.000	1	110.1850	0.000	1	110.1850	0.000	1	112.9116	4.402	7	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H)	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{2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H){1|C<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	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>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	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{4|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	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>}	114.6080	0.000	1	114.6080	0.000	1	113.1280	20.193	3	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	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{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	116.6950	0.000	1	112.3880	37.100	2	113.1280	20.193	3	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	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{1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	108.0810	0.000	1	112.3880	37.100	2	113.1280	20.193	3	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	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{1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	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>}	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	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{1|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	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>}	108.7020	0.000	1	108.6245	0.012	2	109.7225	3.819	4	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	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{2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	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>}	108.5470	0.000	1	108.6245	0.012	2	109.7225	3.819	4	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	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{1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	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>}	109.0010	0.000	1	109.0010	0.000	1	109.7225	3.819	4	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	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{2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<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>}	112.6400	0.000	1	112.6400	0.000	1	109.7225	3.819	4	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-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](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	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{1|C<3>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	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>}	112.9070	1.656	2	112.9070	2.742	2	112.9070	2.742	2	111.4977	8.669	11	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<4>}	113.8410	0.414	2	113.8410	0.172	2	113.8410	0.172	2	112.4940	5.529	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	112.4940	5.529	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	111.3420	0.000	1	111.2310	0.025	2	111.2310	0.025	2	113.2703	12.489	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	111.1200	0.000	1	111.2310	0.025	2	111.2310	0.025	2	113.2703	12.489	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C[5]-4: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	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	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[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[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	113.2703	12.489	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:3:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	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{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,5|C<3>}	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>}	113.4030	0.000	1	112.9020	0.585	3	112.9020	0.585	3	112.9020	0.585	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:3:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	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{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,6|C<3>}	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>}	112.6515	0.890	2	112.9020	0.585	3	112.9020	0.585	3	112.9020	0.585	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:3:	4:4:3:3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-3:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO)	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{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO){1|C<2>,1|C<4>,1|N<3>,4|C<3>,4|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){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	3:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5])	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5]){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	113.1080	0.000	1	113.1080	0.000	1	113.1080	0.000	1	114.7296	0.958	5	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O[5]-2:O[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[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	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{1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	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>}	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	114.7296	0.958	5	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2{2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3){2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	114.7296	0.958	5	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:4:	4:4:2:2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	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{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,2|H<1>,2|O<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>}	114.7705	0.095	2	114.7705	0.009	2	114.7705	0.009	2	114.7296	0.958	5	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	3:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	109.7920	2.871	2	109.7920	8.242	2	109.7920	8.242	2	109.7920	8.242	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	111.6060	0.000	1	111.6060	0.000	1	111.8320	0.102	2	111.8320	0.102	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	112.0580	0.000	1	112.0580	0.000	1	111.8320	0.102	2	111.8320	0.102	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.0830	0.000	1	112.8334	12.920	5	112.0438	11.330	12	112.0438	11.330	12	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	111.7860	0.000	1	112.8334	12.920	5	112.0438	11.330	12	112.0438	11.330	12	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	114.7660	2.899	3	112.8334	12.920	5	112.0438	11.330	12	112.0438	11.330	12	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	111.4660	0.211	2	111.4660	0.044	2	112.0438	11.330	12	112.0438	11.330	12	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	113.9250	3.283	3	113.9250	10.778	3	112.0438	11.330	12	112.0438	11.330	12	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	107.8255	1.166	2	107.8255	1.360	2	112.0438	11.330	12	112.0438	11.330	12	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	110.7145	0.528	2	110.7145	0.279	2	110.7145	0.279	2	112.1843	6.621	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	112.1843	6.621	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:2:4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	108.5900	0.000	1	108.6610	0.005	3	108.6610	0.005	3	108.6610	0.005	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:2:4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	108.6965	0.050	2	108.6610	0.005	3	108.6610	0.005	3	108.6610	0.005	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:2:	2:4:4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:3:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	114.1570	0.995	3	114.1570	0.990	3	114.1570	0.990	3	114.1570	0.990	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:3:2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	116.8267	0.805	7	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	115.7860	0.000	1	117.0407	0.582	6	117.0407	0.582	6	116.8267	0.805	7	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	117.3285	0.575	4	117.0407	0.582	6	117.0407	0.582	6	116.8267	0.805	7	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	117.1440	0.000	1	117.0407	0.582	6	117.0407	0.582	6	116.8267	0.805	7	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:2:2:	3:4:3:3:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C-2:C-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2{1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	3:3:4:3:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	3:4:4:3:	3:4:3:3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	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>}	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	116.4890	0.000	1	116.4890	0.000	1	116.4890	0.000	1	116.4890	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	3:4:4:3:	4:4:3:3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(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[5,6]CH)(C[5]N[5]O)	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){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>,2|O<1>,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[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	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>}	116.8320	0.585	2	116.8320	0.343	2	116.6960	0.227	3	116.6960	0.227	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	3:4:4:3:	4:4:3:3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]2C[6])(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[5,6]CH)(C[5]O[5]O)	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){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>,2|O<2>,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[5,6]CH)(C[5]O[5]O){1|C<4>,2|H<1>,6|C<3>}	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>}	116.4240	0.000	1	116.4240	0.000	1	116.6960	0.227	3	116.6960	0.227	3	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	115.7875	0.060	2	115.7875	0.004	2	115.7875	0.004	2	115.7875	0.004	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:2:	4:3:2:4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	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])	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){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	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[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>}	112.7308	0.362	6	112.7295	0.103	8	112.7295	0.103	8	112.7295	0.103	8	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:2:	4:3:2:4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	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])	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){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	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[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>}	112.9090	0.000	1	112.7295	0.103	8	112.7295	0.103	8	112.7295	0.103	8	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:2:	4:3:2:4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	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])	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){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	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[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>}	112.5420	0.000	1	112.7295	0.103	8	112.7295	0.103	8	112.7295	0.103	8	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:2:	4:4:3:2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	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])	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	113.9410	0.201	2	113.9410	0.040	2	113.9410	0.040	2	113.9410	0.040	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:3:3:	4:3:3:4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	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	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){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	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[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>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:1:	4:4:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	110.9322	0.351	4	110.9322	0.124	4	110.9322	0.124	4	110.9322	0.124	4	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:3:3:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[6]S[5])(C[5]C[5]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:3:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H)	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H)	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:2:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	111.7580	0.253	4	111.7580	0.064	4	111.7580	0.064	4	111.7580	0.064	4	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H)	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,4|C<4>}	111.6620	0.103	2	111.6620	0.011	2	111.6620	0.011	2	111.6620	0.011	2	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	112.5167	8.644	147	111.1808	9.379	304
466	474	474	6:SP3_SP3_SP3	C[6]	C[5,6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	112.5167	8.644	147	111.1808	9.379	304