466	466	952	0:SP3_SP3_SP3	C[3x6]	C[6,6]	S	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:O-1:O-1:	C[3x6](C[6,6]C[3x6]HH)3(SNOO)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	S(C[3x6]C[6,6]3)(NCH)(O)2	C[3x6](C[6,6]C[3x6]HH)3(SNOO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	S(C[3x6]C[6,6]3)(NCH)(O)2	109.0863	1.898	6	109.0863	3.604	6	109.0863	3.604	6	109.0863	3.604	6	109.0863	3.604	6	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[3x6]	S	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H)	S(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,3|H<1>}	S(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)2	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:3:3:4:	3:4:2:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C[6]-3:S-4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	S(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	S(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)2	108.2644	2.606	5	108.2644	6.790	5	108.2644	6.790	5	108.2644	6.790	5	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:3:4:4:	3:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	S(C[6,6]C[6,6]C[6]2)(CCHH)(O)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	S(C[6,6]C[6,6]C[6]2)(CCHH)(O)2	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:3:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	S(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	S(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)2	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:4:4:1:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	S(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)2	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	S(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)2	115.4843	0.740	4	115.4843	0.547	4	115.4843	0.547	4	115.4843	0.547	4	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	S(C[6,6]C[6,6]2H)(CH3)(O)2	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	S(C[6,6]C[6,6]2H)(CH3)(O)2	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	S(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	S(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)2	113.9690	0.000	1	113.9690	0.000	1	113.9690	0.000	1	114.9374	0.331	5	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	S(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)2	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	S(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)2	115.1795	0.225	4	115.1795	0.051	4	115.1795	0.051	4	114.9374	0.331	5	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6,6]	S	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	S(C[6,6]C[6,6]2H)(CH3)(O)2	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	S(C[6,6]C[6,6]2H)(CH3)(O)2	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	111.9971	15.968	18	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6]	S	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	S(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	S(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)2	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	112.1575	11.834	2	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6,6]	C[6]	S	4:3:4:4:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	S(C[6,6]C[6,6]C[6]2)(CCHH)(O)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	S(C[6,6]C[6,6]C[6]2)(CCHH)(O)2	114.5900	0.000	1	114.5900	0.000	1	114.5900	0.000	1	114.5900	0.000	1	112.1575	11.834	2	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[3x6]	S	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,4|C<4>,6|H<1>}	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	113.1340	0.000	3	113.1340	0.000	3	113.3605	0.205	4	113.3605	0.205	4	113.3605	0.205	4	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[3x6]	S	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	114.0400	0.000	1	114.0400	0.000	1	113.3605	0.205	4	113.3605	0.205	4	113.3605	0.205	4	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6,6]	S	4:3:4:1:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:S-4:Cl-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H)	S(C[6]C[6,6]C[6]Cl)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	S(C[6]C[6,6]C[6]Cl)(C[6a]C[6a]2)(O)2	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.9680	1.306	2	111.5067	22.383	8	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6,6]	S	4:3:4:1:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	110.9680	1.306	2	111.5067	22.383	8	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6,6]	S	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	111.5067	22.383	8	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6,6]	S	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	113.0730	4.178	2	113.0730	17.452	2	113.0730	17.452	2	113.0730	17.452	2	111.5067	22.383	8	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6,6]	S	4:4:4:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H)	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(O)2	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	111.5067	22.383	8	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6,6]	S	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:S-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H)	S(C[6]C[6,6]C[6]S)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H){1|O<1>,3|C<3>,3|H<1>}	S(C[6]C[6,6]C[6]S)(C[6a]C[6a]2)(O)2	111.8240	10.956	2	111.8240	120.032	2	111.8240	120.032	2	111.8240	120.032	2	111.5067	22.383	8	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	3:4:4:1:	2:4:4:1:	3:4:1:1:	C[6]-3:C[6]-4:S-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H){1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.0973	0.477	3	112.0973	0.228	3	112.0973	0.228	3	112.0973	0.228	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	3:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2{1|O<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2{1|H<1>,4|C<3>}	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	3:4:4:4:	2:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:S-4:C-4:	O[6]-2:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	106.5540	3.511	2	106.7337	7.908	6	106.7337	7.908	6	106.7337	7.908	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|F<1>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	106.8235	3.006	4	106.7337	7.908	6	106.7337	7.908	6	106.7337	7.908	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2{1|C<4>,1|H<1>,1|O<2>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	109.3995	0.331	4	109.3995	0.110	4	109.3995	0.110	4	109.3995	0.110	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:2:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	113.4080	0.000	1	111.6856	2.510	5	111.4593	2.315	6	111.4593	2.315	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:2:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.3260	0.000	1	111.6856	2.510	5	111.4593	2.315	6	111.4593	2.315	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:2:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	113.2600	0.000	1	111.6856	2.510	5	111.4593	2.315	6	111.4593	2.315	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:2:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	110.2170	0.389	2	111.6856	2.510	5	111.4593	2.315	6	111.4593	2.315	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:2:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	110.3280	0.000	1	110.3280	0.000	1	111.4593	2.315	6	111.4593	2.315	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:2:4:2:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.2290	0.000	1	112.2290	0.000	1	111.7133	0.255	3	111.7133	0.255	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.4555	0.334	2	111.4555	0.112	2	111.7133	0.255	3	111.7133	0.255	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	S(C[6]C[6]2H)(CC[6a]HH)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	S(C[6]C[6]2H)(CC[6a]HH)(O)2	110.4255	0.026	2	110.4255	0.001	2	110.4255	0.001	2	110.4255	0.001	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:2:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(O[6]C[6])(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HS)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2{1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	110.9600	0.000	1	110.9600	0.000	1	110.2760	4.257	4	110.2760	4.257	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.5090	0.000	1	112.5090	0.000	1	110.2760	4.257	4	110.2760	4.257	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<3>,1|O<1>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	110.0550	0.000	1	110.0550	0.000	1	110.2760	4.257	4	110.2760	4.257	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.5800	0.000	1	107.5800	0.000	1	110.2760	4.257	4	110.2760	4.257	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-3:Br-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(Br)	S(C[6]C[6]2H)(CCHH)(O)2	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(Br){1|C<3>,3|H<1>}	S(C[6]C[6]2H)(CCHH)(O)2	111.4635	0.979	2	111.4635	0.959	2	111.4635	0.959	2	111.8913	1.029	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H)	S(C[6]C[6]2H)(CCHH)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H){1|C<3>,3|H<1>}	S(C[6]C[6]2H)(CCHH)(O)2	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	111.8913	1.029	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:1:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO)	S(C[6]C[6]2H)(CCHH)(O)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO){1|C<3>,3|H<1>}	S(C[6]C[6]2H)(CCHH)(O)2	114.3213	0.423	6	114.3213	0.179	6	114.3213	0.179	6	114.3213	0.179	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:3:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO)	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:4:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:S-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	S(C[6]C[6]2C)(CC[6a]HH)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	S(C[6]C[6]2C)(CC[6a]HH)(O)2	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:4:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	104.5840	0.409	2	106.0705	3.002	4	105.4273	2.794	6	105.4273	2.794	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:4:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	107.5570	0.000	2	106.0705	3.002	4	105.4273	2.794	6	105.4273	2.794	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:4:4:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	104.1410	0.000	2	104.1410	0.000	2	105.4273	2.794	6	105.4273	2.794	6	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:2:1:	4:4:2:1:	4:3:1:1:	C[6]-4:S-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	2:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	113.9550	1.614	2	113.9550	2.604	2	113.9550	2.604	2	113.9550	2.604	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.5409	3.943	17	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.7630	0.439	3	112.7935	2.081	8	111.5321	4.204	16	111.5409	3.943	17	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	114.0450	0.000	2	112.7935	2.081	8	111.5321	4.204	16	111.5409	3.943	17	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.9897	2.134	3	112.7935	2.081	8	111.5321	4.204	16	111.5409	3.943	17	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	109.7030	1.749	6	110.2706	3.290	8	111.5321	4.204	16	111.5409	3.943	17	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.9735	0.110	2	110.2706	3.290	8	111.5321	4.204	16	111.5409	3.943	17	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	S(C[6]C[6]2H)(CH3)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	S(C[6]C[6]2H)(CH3)(O)2	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,5|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	105.6820	0.000	1	105.6820	0.000	1	105.6820	0.000	1	109.8970	11.121	8	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	109.8970	11.121	8	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.0348	1.413	5	112.0348	1.996	5	112.0348	1.996	5	109.8970	11.121	8	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	109.8970	11.121	8	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	113.2665	0.699	2	113.2665	0.489	2	113.2665	0.489	2	115.1127	2.172	7	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	115.7448	0.961	4	115.7448	0.924	4	115.8512	0.750	5	115.1127	2.172	7	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	116.2770	0.000	1	116.2770	0.000	1	115.8512	0.750	5	115.1127	2.172	7	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	110.6660	0.000	1	110.6660	0.000	1	110.2913	2.811	3	110.2913	2.811	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.4590	0.000	1	110.1040	5.412	2	110.2913	2.811	3	110.2913	2.811	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.7490	0.000	1	110.1040	5.412	2	110.2913	2.811	3	110.2913	2.811	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	3:4:4:2:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:2:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:O[6]-2:Se-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.0690	0.000	1	107.0690	0.000	1	107.0690	0.000	1	107.0690	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:2:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	109.9695	1.184	2	109.9695	1.403	2	112.4280	18.834	3	112.4280	18.834	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(H){2|C<3>,2|N<3>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	117.3450	0.000	1	117.3450	0.000	1	112.4280	18.834	3	112.4280	18.834	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:F-1:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H)	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2	S(C[6]C[6]2H)(F)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2{1|C<4>,2|H<1>,2|O<1>}	S(C[6]C[6]2H)(F)(O)2	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	114.1530	0.000	1	114.1530	0.000	1	114.1530	0.000	1	114.1530	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:3:4:2:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	109.8833	0.590	4	109.8833	0.348	4	109.8833	0.348	4	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[5a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)2(SC[5a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)2	110.8397	1.576	16	110.8397	2.484	16	110.8397	2.484	16	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.7900	0.000	1	111.7900	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.0960	1.217	9	108.0960	1.482	9	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.7120	0.000	2	108.7120	0.000	2	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|F<1>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.0380	0.000	1	112.0380	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.4490	0.000	1	111.4490	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.0540	0.000	1	108.0540	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.8810	0.000	1	112.8810	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(H){2|C<3>,2|N<3>}	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2{2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	120.5070	0.000	1	120.5070	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,2|C<4>,2|O<2>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.8640	0.000	1	106.8640	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.9390	0.000	1	107.9390	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	113.8970	0.000	1	113.8970	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	109.7370	0.000	1	109.7370	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|Se<2>,1|O<2>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.4690	0.000	1	112.4690	0.000	1	109.9051	10.237	22	110.2591	6.390	42	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H)	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2	S(C[6]C[6]2H)(F)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2{1|N<3>,2|H<1>,2|O<1>}	S(C[6]C[6]2H)(F)(O)2	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	110.7954	2.410	10	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2{1|N<3>,3|H<1>,4|C<4>}	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	110.7954	2.410	10	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-1:O-1:	C[6](C[6]C[6]HH)2(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6]C[6]2H)(CCH)(O)2	C[6](C[6]C[6]HH)2(SCOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	S(C[6]C[6]2H)(CCH)(O)2	110.6082	0.866	4	110.6082	0.751	4	110.6082	0.751	4	110.7954	2.410	10	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:O-1:O-1:	C[6](C[6]C[6]HH)2(SNOO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2	S(C[6]C[6]2H)(NCH)(O)2	C[6](C[6]C[6]HH)2(SNOO)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	S(C[6]C[6]2H)(NCH)(O)2	111.1545	0.189	2	111.1545	0.036	2	111.1545	0.036	2	110.7954	2.410	10	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:S-4: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)2(SN[6]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6]C[6]2H)(N[6]C[6]2)(O)2	C[6](C[6]C[6]HH)2(SN[6]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,2|F<1>,2|H<1>}	S(C[6]C[6]2H)(N[6]C[6]2)(O)2	112.1360	2.092	2	112.1360	4.375	2	112.1360	4.375	2	110.7954	2.410	10	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	S(C[6]C[6]2H)(CH3)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	S(C[6]C[6]2H)(CH3)(O)2	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:S-4: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)2(SC[6]NO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	C[6](C[6]C[6]HH)2(SC[6]NO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	109.1105	2.068	2	109.1105	4.278	2	109.1105	4.278	2	109.1105	4.278	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	110.2322	7.705	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	113.0330	0.000	1	113.0330	0.000	1	109.5777	8.987	3	110.2322	7.705	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.8500	0.253	2	107.8500	0.064	2	109.5777	8.987	3	110.2322	7.705	4	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	109.8805	0.262	2	109.8805	0.069	2	109.8805	0.069	2	109.8805	0.069	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	109.6345	0.193	2	109.6345	0.037	2	109.6345	0.037	2	109.6345	0.037	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.1055	2.867	2	111.1055	8.222	2	111.3842	2.929	4	111.4188	2.203	5	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.3060	0.000	1	111.3060	0.000	1	111.3842	2.929	4	111.4188	2.203	5	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	112.0200	0.000	1	112.0200	0.000	1	111.3842	2.929	4	111.4188	2.203	5	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:P[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H){1|H<1>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.4188	2.203	5	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	108.8840	0.000	3	108.8840	0.000	3	108.8840	0.000	3	108.8840	0.000	3	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[3,6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:O-1:O-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H)	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO)	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,3|H<1>}	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:3:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:C-3:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2{1|H<1>,2|C<4>,3|C<3>}	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(O)2	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:3:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:3:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H){1|C<3>,1|S<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2{2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	109.2671	2.049	8	109.2671	4.199	8	109.2671	4.199	8	109.2671	4.199	8	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:S-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2	S(C[6]C[6,6]C[6]S)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	S(C[6]C[6,6]C[6]S)(C[6a]C[6a]2)(O)2	108.8515	1.354	2	108.8515	1.834	2	108.8515	1.834	2	108.8515	1.834	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H)	S(C[6]C[6]2S)(CF3)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H){1|C<4>,3|H<1>}	S(C[6]C[6]2S)(CF3)(O)2	110.1780	2.264	2	110.1780	5.126	2	110.1780	5.126	2	110.1780	5.126	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	108.1925	0.295	2	108.1925	0.087	2	108.1925	0.087	2	108.4491	5.763	18	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	108.1817	2.847	6	108.1817	8.107	6	108.1800	6.060	8	108.4491	5.763	18	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2{1|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	108.1750	1.375	2	108.1750	1.890	2	108.1800	6.060	8	108.4491	5.763	18	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2{1|O<2>,2|H<1>,3|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	108.5885	4.260	2	108.5885	18.150	2	108.7823	7.696	8	108.4491	5.763	18	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)2	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	108.2480	2.281	2	108.2480	5.204	2	108.7823	7.696	8	108.4491	5.763	18	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)2	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	109.2895	4.685	2	109.2895	21.945	2	108.7823	7.696	8	108.4491	5.763	18	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)2	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2S)(O)2	109.0030	2.704	2	109.0030	7.311	2	108.7823	7.696	8	108.4491	5.763	18	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2	S(C[6]C[5,6]C[6]S)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6]C[5,6]C[6]S)(C[6a]C[6a]2)(O)2	109.5945	2.838	2	109.5945	8.052	2	109.5945	8.052	2	109.5945	8.052	2	110.4085	8.232	211	110.5912	9.182	250
466	466	952	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	S(C[6]C[6]2S)(CF3)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	S(C[6]C[6]2S)(CF3)(O)2	111.8535	3.129	2	111.8535	9.790	2	111.8535	9.790	2	111.8535	9.790	2	110.4085	8.232	211	110.5912	9.182	250
466	466	955	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P[5]	4:4:4:4:	4:4:1:1:	3:4:4:4:	P[5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6a]-3:C[3x6]-4:C[3x6]-4:C[5]-4:	C[3x6](P[5]C[5,6a]C[3x6]C[5])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)2(C[5]N[5]HO)	C[3x6](P[5]C[5,6a]C[3x6]C[5])(C[6,6]C[3x6]HH)3{1|N<3>,1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,8|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)2(C[5]N[5]HO){13|H<1>,2|C<3>,7|C<4>}	109.8608	2.403	6	109.8608	5.775	6	109.8608	5.775	6	109.8250	4.350	12	109.8250	4.350	12	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P[5]	4:4:4:4:	4:4:1:1:	3:4:4:4:	P[5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[3x6]-4:C[3x6]-4:	C[3x6](P[5]C[5,6a]C[3x6]C[5,5])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[3x6]C[6,6]3)2	C[3x6](P[5]C[5,6a]C[3x6]C[5,5])(C[6,6]C[3x6]HH)3{2|C<3>,2|N<3>,4|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,8|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[3x6]C[6,6]3)2{13|H<1>,3|C<3>,8|C<4>}	109.7892	1.947	6	109.7892	3.792	6	109.7892	3.792	6	109.8250	4.350	12	109.8250	4.350	12	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	3:3:4:1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6]-4:O-1:	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O)	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O){3|C<4>,4|C<3>,5|H<1>}	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	111.8839	1.578	40	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[6]-4:C[6]-4:P[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-3:P[5]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	P[5](P[5]C[6]P[5])2(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H){1|P<3>,1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	P[5](P[5]C[6]P[5])2(C[6]C[6]2H)(CH3){6|H<1>,9|C<4>}	111.5120	0.993	2	111.5120	0.986	2	111.5120	0.986	2	111.5120	0.986	2	111.8839	1.578	40	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	3:4:4:4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2{3|C<3>,4|C<4>,9|H<1>}	111.6808	1.241	4	111.6808	1.539	4	111.6808	1.539	4	111.6808	1.539	4	111.8839	1.578	40	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	4:4:3:3:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	P[5](C[6]C[6]2H)2(C[5]C[5]H)2	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	P[5](C[6]C[6]2H)2(C[5]C[5]H)2{5|C<4>,9|H<1>}	110.6598	1.211	4	110.6598	1.466	4	110.6598	1.466	4	111.3136	1.291	8	111.8839	1.578	40	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	4:4:3:3:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:P[5]-3:	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	P[5](C[6]C[6]2H)2(P[5]P[5]Co)2	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H){1|Co<6>,2|P<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	P[5](C[6]C[6]2H)2(P[5]P[5]Co)2{4|C<4>,8|H<1>}	111.9675	0.636	4	111.9675	0.405	4	111.9675	0.405	4	111.3136	1.291	8	111.8839	1.578	40	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[5]-4:C[6]-4:C[6]-4: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](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|Br<1>,1|P<4>,4|C<4>,8|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	112.0394	1.324	16	112.0394	1.752	16	112.1110	1.651	24	112.1110	1.651	24	111.8839	1.578	40	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[5]-4:C[6]-4:C[6]-4: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](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|P<4>,4|C<4>,9|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	112.2542	1.278	8	112.2542	1.633	8	112.1110	1.651	24	112.1110	1.651	24	111.8839	1.578	40	111.4088	2.912	52
466	466	955	0:SP3_SP3_SP3	C[6]	C[6]	P[5]	4:4:4:1:	4:4:4:1:	3:3:4:1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[6]-4:O-1:	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O)	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O){3|C<4>,4|C<3>,5|H<1>}	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	111.8839	1.578	40	111.4088	2.912	52
466	466	955	6:SP3_SP3_SP3	C[6]	C[6]	P[5,6]	4:4:1:1:	3:4:1:1:	4:3:4:4:	P[5,6]-4:C[6]-4:H-1:H-1:	B[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2{1|B<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2{2|C<4>,3|C<3>}	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|B<3>,2|C<4>,4|C<3>,4|H<1>}	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	110.7787	0.208	3	110.7787	0.208	3
466	466	955	6:SP3_SP3_SP3	C[6]	C[6]	P[5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	P[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:S-1:	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2	P[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(S)	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2{1|S<1>,2|C<4>,2|H<1>}	P[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(S){1|C<4>,8|H<1>}	110.6575	0.572	2	110.6575	0.327	2	110.6575	0.327	2	110.6575	0.327	2	110.7787	0.208	3	110.7787	0.208	3
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[3x6]	N	4:4:4:3:	4:3:4:1:	4:2:1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:N-3:	C[6,6]-4:C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:O-2:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H)	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,5|H<1>}	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:3:3:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	111.6070	0.000	1	111.6070	0.000	1	111.4093	0.033	3	111.4093	0.033	3	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:3:3:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	111.2520	0.000	1	111.2520	0.000	1	111.4093	0.033	3	111.4093	0.033	3	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:3:3:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	111.3690	0.000	1	111.3690	0.000	1	111.4093	0.033	3	111.4093	0.033	3	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:3:3:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	111.6847	1.903	3	111.6847	3.622	3	111.6847	3.622	3	111.6847	3.622	3	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:3:1:1:	4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:O-1:O-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N(C[3x6]C[6,6]3)(O)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO){2|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(O)2	108.4373	0.935	3	108.4373	0.874	3	108.4373	0.874	3	108.4373	0.874	3	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:3:3:1:	4:2:1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:N-3:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[3x6]-4:O-2:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:3:4:1:	4:2:1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:O-2:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO)	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	109.7723	4.553	3	109.7723	20.726	3	109.7723	20.726	3	109.8633	11.042	9	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	110.1470	3.412	3	110.1470	11.640	3	109.9088	9.370	6	109.8633	11.042	9	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	109.6707	3.408	3	109.6707	11.614	3	109.9088	9.370	6	109.8633	11.042	9	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	3:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	110.7627	1.398	3	110.7627	1.954	3	110.7627	1.954	3	110.7627	1.954	3	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:O-1:O-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO)	C[6,6](C[3x6]C[6,6]2N)2(H)2	N(C[3x6]C[6,6]3)(O)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO){2|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)2(H)2{1|C<4>,1|N<3>,8|H<1>}	N(C[3x6]C[6,6]3)(O)2	108.6678	1.361	6	108.6678	1.852	6	108.6678	1.852	6	108.6678	1.852	6	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{4|H<1>,6|C<4>}	N(C[3x6]C[6,6]3)(CCO)(H)	110.7040	0.000	1	110.7040	0.000	1	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2N)2(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)2(H)2{4|H<1>,6|C<4>}	N(C[3x6]C[6,6]3)(CCO)(H)	108.3400	0.000	1	108.3400	0.000	1	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCO)(H)	106.5745	0.373	2	106.5745	0.139	2	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCO)(H)	111.3535	0.953	4	110.0915	3.435	25	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCO)(H)	109.8511	1.899	21	110.0915	3.435	25	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[5]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[5]O)(H)	109.4620	2.854	3	109.4620	8.146	3	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6]H)(H)	109.2257	2.161	3	109.2257	4.668	3	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6]O)(H)	109.8350	2.342	15	109.8350	5.484	15	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	109.1977	2.259	3	109.1977	5.103	3	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	109.6183	2.941	3	109.6183	8.647	3	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	109.7909	2.259	9	109.7909	5.101	9	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CNS)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CNS)(H)	109.7423	3.994	3	109.7423	15.952	3	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(COO)(H)	110.2180	3.315	3	110.2180	10.988	3	109.7537	4.799	71	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6a]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	110.2128	3.301	6	110.2128	10.896	6	110.2128	10.896	6	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N(C[3x6]C[6,6]3)(CCO)(H)	109.7420	2.317	4	109.7420	5.367	4	109.8243	8.406	22	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N(C[3x6]C[6,6]3)(COO)(H)	110.4718	3.306	6	110.4718	10.927	6	109.8243	8.406	22	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	N(C[3x6]C[6,6]3)(CNO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N(C[3x6]C[6,6]3)(CNO)(H)	109.5279	3.048	12	109.5279	9.291	12	109.8243	8.406	22	109.7972	5.798	99	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:B-3:C-3:	C[3x6](C[6,6]C[3x6]HH)3(NBC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(NBC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	109.8863	0.957	3	109.8863	0.916	3	109.8247	2.469	6	109.9188	3.386	9	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:B-3:C-3:	C[3x6](C[6,6]C[3x6]HH)3(NBC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	C[3x6](C[6,6]C[3x6]HH)3(NBC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	109.7630	2.290	3	109.7630	5.245	3	109.8247	2.469	6	109.9188	3.386	9	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:C-3:	C[3x6](C[6,6]C[3x6]HH)3(NCC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCH)(CHO)	C[3x6](C[6,6]C[3x6]HH)3(NCC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCH)(CHO)	110.1070	2.700	3	110.1070	7.291	3	110.1070	7.291	3	109.9188	3.386	9	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6a]-3:C-4:	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	110.5323	1.126	3	110.5323	1.268	3	110.5323	1.268	3	110.5323	1.268	3	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHP)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(PC[5]CC)(H)	C[3x6](C[6,6]C[3x6]HH)3(NHP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(PC[5]CC)(H)	109.8103	2.899	3	109.8103	8.407	3	109.8103	8.407	3	109.7694	7.463	42	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P[4]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NP[4]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)(H)	C[3x6](C[6,6]C[3x6]HH)3(NP[4]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)(H)	109.9443	3.196	3	109.9443	10.215	3	109.9443	10.215	3	109.7694	7.463	42	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHS)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NHS){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	109.2404	3.094	18	109.2404	9.573	18	109.6796	8.759	30	109.7694	7.463	42	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHS)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NHS){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	110.5466	2.677	9	110.3383	7.509	12	109.6796	8.759	30	109.7694	7.463	42	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHS)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NHS){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	109.7133	3.444	3	110.3383	7.509	12	109.6796	8.759	30	109.7694	7.463	42	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NSiH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SiC[5]Cl2)(H)	C[3x6](C[6,6]C[3x6]HH)3(NSiH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SiC[5]Cl2)(H)	109.8803	2.272	3	109.8803	5.161	3	110.1105	2.741	6	109.7694	7.463	42	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NSiH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SiSi3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NSiH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SiSi3)(H)	110.3407	1.238	3	110.3407	1.532	3	110.1105	2.741	6	109.7694	7.463	42	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H)	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H){2|C<4>,5|H<1>}	N(C[3x6]C[6,6]3)(CCO)(H)	110.8370	0.666	2	110.8370	0.444	2	111.2108	2.251	5	111.0392	1.603	11	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H)	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H){2|C<4>,5|H<1>}	N(C[3x6]C[6,6]3)(COO)(H)	109.1830	0.000	1	109.1830	0.000	1	111.2108	2.251	5	111.0392	1.603	11	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H)	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	N(C[3x6]C[6,6]3)(COO)(H)	112.5985	0.564	2	112.5985	0.318	2	111.2108	2.251	5	111.0392	1.603	11	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	N(C[3x6]C[6,6]3)(CNO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	N(C[3x6]C[6,6]3)(CNO)(H)	110.8962	1.163	6	110.8962	1.352	6	110.8962	1.352	6	111.0392	1.603	11	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:4:4:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCO)(H)	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.8914	5.629	194	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[5x6]	C[3x6]	N	4:4:4:3:	3:3:4:1:	4:1:1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	C[5x6]-4:O-1:O-1:	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	N(C[5x6]C[3x6]C[4x6]2)(O)2	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	N(C[5x6]C[3x6]C[4x6]2)(O)2	107.3860	0.259	2	107.3860	0.067	2	107.3860	0.067	2	107.3860	0.067	2	107.3860	0.067	2	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[5x6]	C[4x6]	N	4:4:4:3:	4:4:3:1:	4:1:1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[5x6]-4:O-1:O-1:	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	N(C[5x6]C[3x6]C[4x6]2)(O)2	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	N(C[5x6]C[3x6]C[4x6]2)(O)2	112.9305	0.114	2	112.9305	0.013	2	112.9305	0.013	2	109.7810	13.243	4	109.7810	13.243	4	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[5x6]	C[4x6]	N	4:4:4:3:	4:4:3:1:	4:1:1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	C[4,4x6]-4:C[5x6]-4:C[6]-3:H-1:	C[5x6]-4:O-1:O-1:	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H)	N(C[5x6]C[3x6]C[4x6]2)(O)2	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	N(C[5x6]C[3x6]C[4x6]2)(O)2	106.6315	0.197	2	106.6315	0.039	2	106.6315	0.039	2	109.7810	13.243	4	109.7810	13.243	4	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	3:3:4:1:	4:3:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(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]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	112.4700	0.018	2	112.4700	0.000	2	112.4700	0.000	2	112.4700	0.000	2	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	N(C[6,6]C[3x6]C[6,6]H)(O)2	108.0225	1.497	2	108.0225	2.241	2	108.0225	2.241	2	108.0225	2.241	2	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(O)2	112.3430	0.000	1	112.2220	0.029	2	112.2220	0.029	2	112.2220	0.029	2	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(O)2	112.1010	0.000	1	112.2220	0.029	2	112.2220	0.029	2	112.2220	0.029	2	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(CCO)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){1|N<3>,2|H<1>,3|C<4>}	N(C[6,6]C[3x6]2H)(CCO)(H)	112.0540	1.324	2	112.0540	1.752	2	112.0540	1.752	2	112.0540	1.752	2	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:3:2:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:C-2:	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	111.0752	0.714	4	111.0752	0.509	4	111.0752	0.509	4	111.0752	0.509	4	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:3:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:C-4:	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	112.3745	0.022	2	112.3745	0.000	2	112.3745	0.000	2	112.3745	0.000	2	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:4:3:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	112.6112	3.128	4	112.6112	9.782	4	114.1112	7.275	8	114.1112	7.275	8	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:4:3:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CRhN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CRhN)	115.6112	1.092	4	115.6112	1.193	4	114.1112	7.275	8	114.1112	7.275	8	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:3:	4:3:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH){1|C<4>,6|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	112.4503	1.283	6	112.4503	1.646	6	112.4503	1.646	6	112.4503	1.646	6	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	109.8785	1.912	16	109.8785	3.655	16	109.8178	3.424	24	109.8001	3.289	25	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H)	N(C[6,6]C[3x6]2C)(CHO)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2C)(CHO)(H)	109.6965	1.842	8	109.6965	3.393	8	109.8178	3.424	24	109.8001	3.289	25	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:3:3:	4:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-4:C-3:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH)	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.8001	3.289	25	111.1544	5.760	53	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	3:4:2:3:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|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>}	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	112.2900	0.000	1	112.2900	0.000	1	113.6823	2.732	3	113.6823	2.732	3	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	3:4:2:3:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	114.3785	1.599	2	114.3785	2.556	2	113.6823	2.732	3	113.6823	2.732	3	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	3:4:3:3:	4:4:2:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	3:4:3:3:	4:4:4:2:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	112.1385	0.062	2	112.1385	0.004	2	112.1385	0.004	2	112.1385	0.004	2	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	3:4:4:3:	4:4:4:2:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N(C[6,6]C[3x6]C[6,6]H)(O)2	112.5680	1.410	2	112.5680	1.988	2	112.5680	1.988	2	110.7676	10.606	5	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	110.4240	0.000	1	107.8930	12.812	2	107.8930	12.812	2	110.7676	10.606	5	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	105.3620	0.000	1	107.8930	12.812	2	107.8930	12.812	2	110.7676	10.606	5	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	110.7676	10.606	5	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	111.8152	1.371	6	111.8152	1.878	6	111.8152	1.878	6	111.8152	1.878	6	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(O)2	109.1430	0.000	1	109.1430	0.000	1	109.5675	0.360	2	109.5675	0.360	2	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(O)2	109.9920	0.000	1	109.9920	0.000	1	109.5675	0.360	2	109.5675	0.360	2	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	111.2130	0.358	2	111.2130	0.128	2	111.2130	0.128	2	111.2130	0.128	2	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6]2H)2(NCH)(H)	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	N(C[6,6]C[6,6]2H)(COO)(H)	C[6,6](C[6,6]C[6]2H)2(NCH)(H){1|N<3>,1|S<4>,8|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>}	N(C[6,6]C[6,6]2H)(COO)(H)	112.7285	0.047	2	112.7285	0.002	2	112.7285	0.002	2	112.7285	0.002	2	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:3:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-4:C-3:N-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H){2|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:3:	4:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO)	C[6,6](C[6,6]C[6]2N)2(CCHH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]2N)2(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	108.6035	0.459	2	108.6035	0.211	2	109.4243	1.634	4	109.4243	1.634	4	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:3:3:	4:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO)	C[6,6](C[6,6]C[6]2N)2(CCHH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]2N)2(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	110.2450	1.413	2	110.2450	1.996	2	109.4243	1.634	4	109.4243	1.634	4	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO){5|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N(C[6,6]C[6,6]C[6]2)(O)2	111.0700	0.000	1	111.0700	0.000	1	110.3387	1.491	3	110.3387	1.491	3	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	111.0170	0.000	1	111.0170	0.000	1	110.3387	1.491	3	110.3387	1.491	3	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	108.9290	0.000	1	108.9290	0.000	1	110.3387	1.491	3	110.3387	1.491	3	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	4:4:4:1:	4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	111.0373	0.403	3	111.0373	0.163	3	111.0373	0.163	3	111.4832	0.904	4	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	4:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	112.8210	0.000	1	112.8210	0.000	1	112.8210	0.000	1	111.4832	0.904	4	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	4:4:4:4:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	107.8330	0.000	1	107.8330	0.000	1	108.0940	0.136	2	108.0940	0.136	2	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	4:4:4:4:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	108.3550	0.000	1	108.3550	0.000	1	108.0940	0.136	2	108.0940	0.136	2	111.1359	4.021	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	3:4:4:3:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:3:3:	4:3:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	105.0895	1.095	2	105.0895	1.200	2	107.0667	5.643	4	107.0667	5.643	4	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:3:3:	4:3:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	109.0440	0.304	2	109.0440	0.092	2	107.0667	5.643	4	107.0667	5.643	4	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	N(C[6,6]C[6,6]C[6]2)(O)2	104.8930	0.000	1	106.6860	6.430	2	106.6860	6.430	2	106.6860	6.430	2	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{2|C<4>,2|H<1>,3|C<3>}	N(C[6,6]C[6,6]C[6]2)(O)2	108.4790	0.000	1	106.6860	6.430	2	106.6860	6.430	2	106.6860	6.430	2	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:3:3:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	105.3055	1.702	2	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:3:3:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO){5|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	N(C[6,6]C[6,6]C[6]2)(O)2	104.3830	0.000	1	104.3830	0.000	1	104.3830	0.000	1	105.3055	1.702	2	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO){5|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	109.1130	0.000	1	109.1130	0.000	1	107.5715	4.752	2	107.5715	4.752	2	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	106.0300	0.000	1	106.0300	0.000	1	107.5715	4.752	2	107.5715	4.752	2	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	105.6880	0.863	3	105.6880	0.745	3	105.6880	0.745	3	105.3645	0.915	4	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	N(C[6,6]C[6,6]C[6]2)(O)2	104.3940	0.000	1	104.3940	0.000	1	104.3940	0.000	1	105.3645	0.915	4	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	109.6620	0.000	1	109.6620	0.000	1	108.8670	0.943	3	108.8670	0.943	3	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	109.1540	0.000	1	109.1540	0.000	1	108.8670	0.943	3	108.8670	0.943	3	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	107.7850	0.000	1	107.7850	0.000	1	108.8670	0.943	3	108.8670	0.943	3	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	N(C[6,6]C[6,6]C[6]2)(O)2	105.8440	0.000	1	105.8440	0.000	1	105.8440	0.000	1	105.8440	0.000	1	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	106.8154	4.171	20	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:3:3:1:	3:4:4:1:	4:4:1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	N(C[6]C[6,6]C[6]H)(O)2	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	109.9678	4.070	5	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	108.6445	0.849	2	108.6445	0.721	2	109.4290	3.492	4	109.9678	4.070	5	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	110.2135	2.700	2	110.2135	7.292	2	109.4290	3.492	4	109.9678	4.070	5	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:3:4:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6,6]C[6]H)(CCO)(H)	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	111.7080	0.281	2	111.7080	0.079	2	111.7080	0.079	2	111.7399	1.245	9	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	110.5280	0.140	2	110.5280	0.020	2	111.7490	1.646	7	111.7399	1.245	9	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	110.2040	0.000	1	110.2040	0.000	1	111.7490	1.646	7	111.7399	1.245	9	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	N(C[6]C[6,6]C[6]H)(O)2	112.7000	0.000	1	112.7458	0.172	4	111.7490	1.646	7	111.7399	1.245	9	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6,6]C[6]H)(O)2	112.8280	0.000	1	112.7458	0.172	4	111.7490	1.646	7	111.7399	1.245	9	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	N(C[6]C[6,6]C[6]H)(O)2	113.2310	0.000	1	112.7458	0.172	4	111.7490	1.646	7	111.7399	1.245	9	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	N(C[6]C[6,6]C[6]H)(O)2	112.2240	0.000	1	112.7458	0.172	4	111.7490	1.646	7	111.7399	1.245	9	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(CCH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N(C[6]C[6,6]C[6]H)(CCH)(O)	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	3:4:4:2:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:2:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.1700	0.000	1	107.1700	0.000	1	107.1700	0.000	1	107.1700	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:3:4:2:	4:1:1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	N(C[6]C[6,6]2H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6,6]2H)(O)2	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	108.0550	0.594	2	108.0550	0.353	2	108.0550	0.353	2	108.0550	0.353	2	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]2H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6,6]2H)(O)2	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	108.7617	3.426	3	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.7005	0.308	2	107.7005	0.095	2	107.7005	0.095	2	108.7617	3.426	3	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(CNO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H){6|H<1>,7|C<4>}	N(C[6]C[6,6]C[6]H)(CNO)(H)	111.7440	0.000	2	111.7440	0.000	2	111.7440	0.000	2	109.8223	11.078	3	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|H<1>,6|C<4>}	N(C[6]C[6,6]C[6]H)(CCO)(H)	105.9790	0.000	1	105.9790	0.000	1	105.9790	0.000	1	109.8223	11.078	3	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[6]-4:N-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	112.7290	0.981	2	112.7290	0.963	2	112.7290	0.963	2	112.7290	0.963	2	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	111.6400	0.000	1	111.6400	0.000	1	109.7450	7.182	2	109.7450	7.182	2	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.8500	0.000	1	107.8500	0.000	1	109.7450	7.182	2	109.7450	7.182	2	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:2:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	N(C[6]C[6,6]C[6]H)(CCO)(H)	113.5300	0.000	1	113.5300	0.000	1	113.5300	0.000	1	113.5300	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:4:	4:1:1:	C[6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H)	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:4:4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3)	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3){3|C<4>,7|H<1>}	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:3:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:N-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]C)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	N(C[6]C[6,6]C[6]C)(CCO)(H)	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:4:3:	4:4:4:1:	4:4:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	110.5518	4.912	39	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	2:4:3:1:	3:4:4:2:	4:3:3:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C[6a]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN){2|C<3>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	2:4:3:1:	4:4:1:1:	4:3:1:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2{2|C<3>}	N(C[6]C[6]O[6]H)(CCO)(H)	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	2:4:1:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H){1|B<3>,1|N<2>}	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(COO)(H)	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	2:4:1:1:	4:4:1:	C[6]-3:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	N(C[6]C[6]2H)(SCOO)(H)	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	3:4:2:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:2:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	108.7510	0.000	1	108.7510	0.000	1	108.7510	0.000	1	108.7510	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:3:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	111.1433	4.537	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:3:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	113.5830	0.000	1	113.5830	0.000	1	113.5830	0.000	1	111.1433	4.537	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:3:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	111.1433	4.537	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	110.5335	0.199	2	110.5335	0.039	2	110.5335	0.039	2	110.5335	0.039	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:4:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	111.4765	0.199	2	111.4765	0.039	2	111.4765	0.039	2	111.4765	0.039	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	N(C[6]C[6]2H)(NC)(H)	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	111.1230	2.263	2	111.1230	5.120	2	111.1230	5.120	2	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	N(C[6]C[5a,6]C[6]H)(CCO)(H)	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	109.9320	0.000	1	109.9320	0.000	1	110.4213	0.140	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CCH)(H)	110.3070	0.380	2	110.3070	0.145	2	110.4213	0.140	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CNO)(H)	110.6607	0.241	3	110.6607	0.058	3	110.4213	0.140	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	113.6630	0.000	1	113.6630	0.000	1	113.1750	0.476	2	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2{4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	112.6870	0.000	1	112.6870	0.000	1	113.1750	0.476	2	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(CCO)(H)	112.5850	0.000	1	112.5850	0.000	1	111.4847	1.020	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(COO)(H)	112.2590	0.000	1	112.2590	0.000	1	111.4847	1.020	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.2350	0.000	1	110.2350	0.000	1	111.4847	1.020	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.6680	0.822	2	111.6680	0.675	2	111.4847	1.020	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.4930	0.000	1	110.4930	0.000	1	111.4847	1.020	6	111.2375	1.459	17	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	111.0865	0.681	2	111.0865	0.464	2	111.0865	0.464	2	111.0865	0.464	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	111.8690	0.263	2	111.8690	0.069	2	111.8690	0.069	2	111.8690	0.069	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:2:1:	4:3:1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	111.1125	2.306	2	111.1125	5.317	2	111.1125	5.317	2	111.7442	4.362	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:2:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	111.7442	4.362	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:2:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	N(C[6]C[6]2H)(CHO)(H)	111.0240	0.000	1	111.0240	0.000	1	112.9315	7.277	2	111.7442	4.362	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:2:1:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N(C[6]C[6]2H)(CCO)(H)	114.8390	0.000	1	114.8390	0.000	1	112.9315	7.277	2	111.7442	4.362	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:2:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	N(C[6]C[6,6a]C[6]H)(SO3)(H)	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[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SO3)(H)	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:3:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	112.8757	0.272	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:3:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	112.5890	0.225	2	112.5890	0.051	2	112.5890	0.051	2	112.8757	0.272	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[5]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:P-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H)	N(C[6]C[6,6a]C[6]H)(PC[6a]2S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H){2|C<3>}	N(C[6]C[6,6a]C[6]H)(PC[6a]2S)(H)	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:3:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:4:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:3:	4:3:1:1:	4:1:1:	C[5,6]-3:C[6]-4:N-3:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2	N(C[6]C[5,6]C[6]N)(O)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N(C[6]C[5,6]C[6]N)(O)2	109.0125	1.513	2	109.0125	2.288	2	109.0125	2.288	2	109.5830	1.215	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:3:	4:3:1:1:	4:1:1:	C[6,6]-3:C[6]-4:N-3:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2	N(C[6]C[6,6]C[6]N)(O)2	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2{1|N<3>,3|C<4>}	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2{1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6,6]C[6]N)(O)2	110.1535	0.233	2	110.1535	0.054	2	110.1535	0.054	2	109.5830	1.215	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:1:1:	C[6]-3:C[6]-4:N-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6]2N)(O)2	108.9720	1.424	2	108.9720	2.028	2	108.9720	2.028	2	108.6257	1.084	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(O)2	108.2795	0.863	2	108.2795	0.745	2	108.2795	0.745	2	108.6257	1.084	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	111.5660	0.385	2	111.5660	0.148	2	111.5660	0.148	2	111.5660	0.148	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:3:3:	C[6]-3:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(COO)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	N(C[6]C[6]2C)(COO)(NCH)	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	N(C[6]C[6a]C[6]2)(SC[6a]OO)(H)	105.1860	0.000	1	105.1860	0.000	1	105.1860	0.000	1	105.1860	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:4:3:	4:4:1:1:	4:1:1:	C[6]-3:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	N(C[6]C[6]2C)(O)2	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	107.4720	3.412	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:4:3:	4:4:1:1:	4:1:1:	N[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO)	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]N[5a]C[6]2)(O)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N(C[6]N[5a]C[6]2)(O)2	107.3625	2.599	2	107.3625	6.753	2	107.3625	6.753	2	107.4720	3.412	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:1:1:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(H)2	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H){1|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(CCO)(H)	113.6990	0.000	1	113.6990	0.000	1	110.9242	7.001	5	111.5897	5.311	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCO)(H)	110.2305	2.475	4	110.2305	6.126	4	110.9242	7.001	5	111.5897	5.311	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	111.2770	0.000	1	111.2770	0.000	1	112.6990	1.634	3	111.5897	5.311	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	113.4100	0.485	2	113.4100	0.235	2	112.6990	1.634	3	111.5897	5.311	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	3:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	110.0190	0.000	1	110.0190	0.000	1	110.8113	0.846	3	110.8113	0.846	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	3:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	111.2075	0.866	2	111.2075	0.750	2	110.8113	0.846	3	110.8113	0.846	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:2:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(SC[6a])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(SC[6a])(H)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCO)(H)	110.3270	0.000	1	110.3270	0.000	1	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCO)(H)	111.3010	0.000	1	111.3010	0.000	1	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CNS)(H)	109.9740	1.397	2	109.8978	0.542	5	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CNS)(H)	109.8470	0.314	3	109.8978	0.542	5	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(COO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(COO)(H)	111.7570	0.000	1	111.7570	0.000	1	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(COS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(COS)(H)	112.8220	0.000	1	112.8220	0.000	1	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCO)(H)	111.3085	0.062	2	111.3085	0.004	2	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(CNO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CNO)(H)	111.2220	0.000	1	111.2220	0.000	1	110.7946	1.129	12	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	110.8080	0.000	1	110.8080	0.000	1	110.5507	0.551	4	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	110.4650	0.884	3	110.4650	0.782	3	110.5507	0.551	4	110.7336	0.950	16	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:3:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	114.4540	0.071	2	114.4540	0.005	2	113.7127	1.651	3	113.7127	1.651	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:3:3:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	112.2300	0.000	1	112.2300	0.000	1	113.7127	1.651	3	113.7127	1.651	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	111.1975	1.629	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(SCOO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(SCOO)(H)	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	111.1975	1.629	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:4:3:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:3:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCO)(H)	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:3:	4:4:3:1:	4:3:1:	C[6]-4:O[6]-2:N-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H){4|C<3>}	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:4:3:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2	N(C[6]C[6]O[6]C)(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2{1|C<4>,2|H<1>}	N(C[6]C[6]O[6]C)(COO)(H)	106.7900	0.815	4	106.7900	0.665	4	106.7900	0.665	4	106.7900	0.665	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.4692	0.639	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	N(C[6]C[6]2H)(O)2	108.4145	0.912	4	108.4145	0.832	4	108.4145	0.832	4	108.4692	0.639	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(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]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	116.3260	0.000	1	116.3260	0.000	1	114.0270	10.571	2	113.8674	2.691	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.7280	0.000	1	111.7280	0.000	1	114.0270	10.571	2	113.8674	2.691	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]O)(H)	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8674	2.691	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	113.8950	0.000	1	113.8950	0.000	1	113.6945	0.080	2	113.8674	2.691	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	113.4940	0.000	1	113.4940	0.000	1	113.6945	0.080	2	113.8674	2.691	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	3:4:2:1:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	111.6220	0.212	2	111.6220	0.045	2	111.6220	0.045	2	111.6220	0.045	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	N(C[6]C[6]2H)(CCO)(H)	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(COO)(H)	112.7170	0.000	1	112.7170	0.000	1	112.7170	0.000	1	111.5837	1.007	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(CCO)(H)	111.0170	0.294	2	111.0170	0.087	2	111.0170	0.087	2	111.5837	1.007	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	112.7270	0.000	1	112.7270	0.000	1	113.2155	0.477	2	113.2155	0.477	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	113.7040	0.000	1	113.7040	0.000	1	113.2155	0.477	2	113.2155	0.477	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	112.3800	0.000	1	112.6254	0.275	5	112.6254	0.275	5	112.6254	0.275	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	112.6867	0.585	4	112.6254	0.275	5	112.6254	0.275	5	112.6254	0.275	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	N(C[6]C[6]2H)(CCO)(H)	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HN)2(Br)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(Br)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.3280	1.308	2	109.3280	1.711	2	111.8773	3.125	9	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|O<1>}	N(C[6]C[6]2H)(COO)(H)	113.4990	1.660	2	113.2027	1.642	3	111.8773	3.125	9	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.6100	0.000	1	113.2027	1.642	3	111.8773	3.125	9	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	111.8960	0.000	1	111.8960	0.000	1	111.8773	3.125	9	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.4360	0.000	1	111.4360	0.000	1	111.8773	3.125	9	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|N<2>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.2340	0.000	1	112.2340	0.000	1	111.8773	3.125	9	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6]C[6]2H)(COO)(H)	113.0660	0.000	1	113.0660	0.000	1	111.8773	3.125	9	111.8154	2.762	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(COO)2	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[5a]HH)(COO)	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4750	0.004	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.4750	0.004	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	113.7523	0.992	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)2	113.9857	1.078	3	113.9857	1.162	3	113.9857	1.162	3	113.7523	0.992	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	N(C[6]C[6]2H)(COO)(H)	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	111.8743	1.559	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	4:3:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	N(C[6]C[6]N[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]N[6]H)(CCO)(H)	112.5940	0.100	2	112.5940	0.010	2	112.5940	0.010	2	111.8743	1.559	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	N(C[6]C[6]2H)(COO)(H)	111.1915	1.481	2	111.1915	2.195	2	111.1630	1.100	3	112.0708	1.688	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	111.1060	0.000	1	111.1060	0.000	1	111.1630	1.100	3	112.0708	1.688	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6]C[6]2H)(CCO)(H)	112.8880	0.444	2	112.8880	0.197	2	112.6154	1.416	5	112.0708	1.688	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	112.4337	1.615	3	112.4337	2.609	3	112.6154	1.416	5	112.0708	1.688	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:4:1:	3:4:2:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H){1|Fe<10>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:2:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:O-2:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON)	C[6](C[6]C[6]NO)(S[6]C[6])(H)2	N(C[6]C[6]2O)(COO)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON){1|C<4>,2|H<1>}	C[6](C[6]C[6]NO)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2O)(COO)(H)	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6]C[6]2C)(CC[6a]O)(H)	110.0545	1.628	2	110.0545	2.652	2	110.0545	2.652	2	110.0545	2.652	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:3:	3:4:4:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	107.9020	0.608	2	107.9020	0.370	2	107.9020	0.370	2	107.9020	0.370	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N(C[6]C[6a]C[6]2)(CCO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N(C[6]C[6a]C[6]2)(CCO)(H)	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2C)(CCO)(H)	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	111.2550	11.687	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(NC[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2C)(NC[6]O)(O)	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	111.2550	11.687	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:3:	4:4:1:1:	4:3:1:	C[6]-4:N[6]-3:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2	N(C[6]C[6]N[6]C)(CCO)(H)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2{1|C<3>,1|C<4>,1|N<2>}	N(C[6]C[6]N[6]C)(CCO)(H)	114.2550	0.000	1	114.2550	0.000	1	114.2550	0.000	1	111.2550	11.687	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	N(C[6]C[6]2C)(O)2	104.9230	0.000	1	104.9230	0.000	1	104.5790	0.398	3	104.5790	0.398	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2C)(O)2	104.4070	0.786	2	104.4070	0.618	2	104.5790	0.398	3	104.5790	0.398	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	112.6880	0.202	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2C)(CC[6a]O)(H)	112.2920	0.000	1	112.2920	0.000	1	112.4435	0.046	2	112.6880	0.202	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2C)(CC[6a]O)(H)	112.5950	0.000	1	112.5950	0.000	1	112.4435	0.046	2	112.6880	0.202	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6]C[6]2C)(O)2	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	110.3320	0.023	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N(C[6]C[6]2C)(COO)(H)	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.3320	0.023	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6]C[6]2C)(CC[6a]O)(H)	111.7990	1.339	2	111.7990	1.794	2	111.7990	1.794	2	112.3700	1.875	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2C)(CC[6a]O)(H)	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	112.3700	1.875	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6]C[6]2C)(CC[6a]O)(H)	110.3640	1.485	2	110.3640	2.205	2	110.3640	2.205	2	110.3640	2.205	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	N(C[6]C[6]2C)(CH3)(COO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N(C[6]C[6]2C)(CH3)(COO)	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,2|H<1>,4|C<3>}	N(C[6]C[6]2C)(O)2	107.9125	0.032	2	107.9125	0.001	2	107.9125	0.001	2	107.9125	0.001	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2C)(O)2	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2H)(O)2	107.8160	0.000	1	107.8160	0.000	1	108.6694	2.420	5	108.6330	1.944	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	106.7160	0.000	1	106.7160	0.000	1	108.6694	2.420	5	108.6330	1.944	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2H)(O)2	110.4770	0.000	1	109.6050	1.254	3	108.6694	2.420	5	108.6330	1.944	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.1690	1.170	2	109.6050	1.254	3	108.6694	2.420	5	108.6330	1.944	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2H)(O)2	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	108.6330	1.944	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2H)(O)2	111.2345	3.317	2	111.2345	11.003	2	110.1282	3.097	6	110.1282	3.097	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2H)(O)2	109.3405	0.432	2	109.3405	0.187	2	110.1282	3.097	6	110.1282	3.097	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	2:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.8095	0.637	2	109.8095	0.406	2	110.1282	3.097	6	110.1282	3.097	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	109.2420	0.768	4	109.2420	0.590	4	109.4913	3.230	6	109.4927	1.819	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	112.6010	0.000	1	112.6010	0.000	1	109.4913	3.230	6	109.4927	1.819	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	107.3790	0.000	1	107.3790	0.000	1	109.4913	3.230	6	109.4927	1.819	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	108.6780	0.000	1	108.6780	0.000	1	109.4944	0.510	5	109.4927	1.819	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	109.8915	0.111	2	109.6985	0.402	4	109.4944	0.510	5	109.4927	1.819	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	109.5055	1.022	2	109.6985	0.402	4	109.4944	0.510	5	109.4927	1.819	11	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:2:4:4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	108.0610	0.000	1	108.0610	0.000	1	110.4767	4.377	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.6630	0.000	1	111.6630	0.000	1	110.4767	4.377	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.7060	0.000	1	111.7060	0.000	1	110.4767	4.377	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.5527	2.210	3	111.5527	4.883	3	111.5527	4.883	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	109.3430	0.424	2	109.3430	0.180	2	110.1887	2.235	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	N(C[6]C[6]2H)(O)2	111.8800	0.000	1	111.8800	0.000	1	110.1887	2.235	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.5740	0.000	1	110.5740	0.000	1	111.0613	0.609	4	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.8820	0.000	1	111.2237	0.756	3	111.0613	0.609	4	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	111.3945	1.156	2	111.2237	0.756	3	111.0613	0.609	4	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N(C[6]C[6]2H)(O)2	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N(C[6]C[6]2H)(O)2	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	N(C[6]C[6]2H)(O)2	109.3355	0.853	2	109.3355	0.728	2	109.3355	0.728	2	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	110.6940	0.000	1	110.6940	0.000	1	109.5453	2.595	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	110.2380	0.000	1	110.2380	0.000	1	109.5453	2.595	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	107.7040	0.000	1	107.7040	0.000	1	109.5453	2.595	3	110.4582	2.326	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	110.2835	5.246	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	110.2835	5.246	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	109.7800	0.578	2	109.7800	0.335	2	109.7800	0.335	2	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(O)2	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2H)(O)2	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.0090	0.000	1	109.0090	0.000	1	110.3610	3.656	2	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	111.7130	0.000	1	111.7130	0.000	1	110.3610	3.656	2	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	N(C[6]C[6]2H)(O)2	109.6330	0.000	1	109.6330	0.000	1	109.5890	0.004	2	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	N(C[6]C[6]2H)(O)2	109.5450	0.000	1	109.5450	0.000	1	109.5890	0.004	2	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	112.5840	0.000	1	112.5840	0.000	1	111.4640	2.509	2	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	N(C[6]C[6]2H)(O)2	110.3440	0.000	1	110.3440	0.000	1	111.4640	2.509	2	110.0417	1.554	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	110.7980	2.242	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	110.7980	2.242	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCO)(H)	109.6320	1.032	2	109.6320	1.066	2	109.6320	1.066	2	110.7980	2.242	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|C<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	109.6035	9.198	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	109.6035	9.198	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:Br-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	N(C[6]C[6]2Br)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2Br)(O)2	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	108.2119	2.908	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2H)(O)2	105.5860	0.000	1	105.5860	0.000	1	105.5860	0.000	1	108.2119	2.908	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(O)2	106.8600	1.121	2	107.6630	1.495	4	107.6630	1.495	4	108.2119	2.908	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	108.4660	0.805	2	107.6630	1.495	4	107.6630	1.495	4	108.2119	2.908	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	N(C[6]C[6]2H)(O)2	109.8495	0.127	2	109.8495	0.016	2	109.8495	0.016	2	108.2119	2.908	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	N(C[6]C[6]2H)(O)2	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	109.4660	0.000	1	109.4660	0.000	1	109.7505	2.853	10	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.8940	0.000	1	111.8940	0.000	1	109.7505	2.853	10	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.4410	0.000	1	109.5181	2.938	8	109.7505	2.853	10	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	109.1546	1.339	5	109.5181	2.938	8	109.7505	2.853	10	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	109.4655	3.004	2	109.5181	2.938	8	109.7505	2.853	10	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.5180	0.000	1	107.5180	0.000	1	109.4004	0.816	16	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.0340	0.000	1	108.0340	0.000	1	109.4004	0.816	16	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	N(C[6]C[6]2H)(O)2	110.6810	0.000	1	110.6810	0.000	1	109.4004	0.816	16	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	109.5312	0.367	10	109.5312	0.135	10	109.4004	0.816	16	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.8400	0.035	2	108.8400	0.001	2	109.4004	0.816	16	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.1810	0.000	1	111.1810	0.000	1	109.4004	0.816	16	109.5236	1.578	28	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	113.2170	0.000	1	113.2170	0.000	1	113.2170	0.000	1	113.2170	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2H)(O)2	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.5260	0.156	2	108.5260	0.024	2	108.5260	0.024	2	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.9190	0.000	1	107.9190	0.000	1	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(O)2	109.0770	1.495	3	109.0770	2.236	3	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(O)2	108.7265	2.035	4	108.7265	4.142	4	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N(C[6]C[6]2H)(O)2	106.4060	0.000	1	106.4060	0.000	1	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.9880	0.250	2	109.9880	0.063	2	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	110.9210	0.000	1	110.9210	0.000	1	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	110.9160	0.000	1	110.9160	0.000	1	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	108.6560	0.000	1	108.6560	0.000	1	109.0665	2.657	14	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	106.1600	0.000	1	106.1600	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.9080	3.046	2	109.9080	9.279	2	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.5270	0.000	1	107.5270	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	108.3310	0.000	1	108.3310	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.2060	1.187	4	110.2060	1.409	4	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.8970	0.000	1	107.8970	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6]2H)(O)2	107.3440	0.000	1	107.3440	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.4245	0.667	2	111.4245	0.445	2	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	111.5177	0.126	3	111.5177	0.016	3	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.8830	0.000	1	110.8830	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	108.6220	0.000	1	108.6220	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.9570	0.000	1	109.9570	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	107.8310	0.000	1	107.8310	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.4710	0.000	1	108.4710	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	N(C[6]C[6]2H)(O)2	111.0905	0.875	2	111.0905	0.765	2	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,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>}	N(C[6]C[6]2H)(O)2	109.6930	0.000	1	109.6930	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|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>}	N(C[6]C[6]2H)(O)2	108.5500	0.146	2	108.9790	2.181	4	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|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>}	N(C[6]C[6]2H)(O)2	109.4080	2.406	2	108.9790	2.181	4	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.4950	0.396	2	108.9820	0.370	4	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	109.4280	0.000	1	108.9820	0.370	4	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	109.5100	0.000	1	108.9820	0.370	4	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	109.4070	0.000	1	110.1898	0.942	6	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	110.3464	0.997	5	110.1898	0.942	6	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	111.2640	0.000	1	111.2640	0.000	1	109.6714	2.408	39	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2H)(O)2	106.8940	0.904	3	106.8940	0.817	3	107.3628	1.423	4	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	108.7690	0.000	1	108.7690	0.000	1	107.3628	1.423	4	109.2818	2.627	61	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(CNS)(H)	111.9595	0.224	2	111.9595	0.050	2	111.6223	0.366	3	111.6223	0.366	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.9480	0.000	1	110.9480	0.000	1	111.6223	0.366	3	111.6223	0.366	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:Br-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]O[6]HH)2(NOO)(Br)	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2	N(C[6]C[6]2Br)(O)2	C[6](C[6]O[6]HH)2(NOO)(Br){1|P<4>}	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	N(C[6]C[6]2Br)(O)2	109.9400	0.294	2	109.9400	0.087	2	109.9400	0.087	2	109.7226	1.076	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	109.5777	1.425	3	109.5777	2.030	3	109.5777	2.030	3	109.7226	1.076	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	108.9250	0.000	1	108.9250	0.000	1	111.0362	1.080	8	111.0362	1.080	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(COO)(H)	111.1620	0.000	1	111.1620	0.000	1	111.0362	1.080	8	111.0362	1.080	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(CCO)(H)	111.6898	0.559	4	111.6898	0.312	4	111.0362	1.080	8	111.0362	1.080	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HH)2(NCH)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{2|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.7220	0.495	2	110.7220	0.245	2	111.0362	1.080	8	111.0362	1.080	8	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	113.6340	0.000	1	113.6340	0.000	1	110.7315	16.849	2	110.7315	16.849	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CCHH)(CCO)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	N(C[6]C[6]2H)(CCHH)(CCO)	107.8290	0.000	1	107.8290	0.000	1	110.7315	16.849	2	110.7315	16.849	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.1850	0.000	1	111.1850	0.000	1	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.2330	0.000	1	111.6768	1.808	10	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.7261	1.416	9	111.6768	1.808	10	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	111.5530	0.000	1	111.5530	0.000	1	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CHO)(H)	109.4110	0.000	1	109.4110	0.000	1	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.3085	1.009	2	111.3085	1.018	2	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	108.9420	0.000	1	108.9420	0.000	1	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	111.0180	0.503	2	111.0180	0.253	2	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.5580	0.000	1	110.5580	0.000	1	111.2142	1.596	19	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	112.3300	0.000	1	112.3300	0.000	1	111.9185	0.339	2	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.5070	0.000	1	111.5070	0.000	1	111.9185	0.339	2	111.2813	1.499	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.0613	0.950	4	111.0613	0.902	4	111.0613	0.902	4	111.7153	2.769	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.2910	0.000	1	111.2910	0.000	1	113.0235	6.003	2	111.7153	2.769	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	114.7560	0.000	1	114.7560	0.000	1	113.0235	6.003	2	111.7153	2.769	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	112.7290	0.000	1	112.7290	0.000	1	110.5940	9.116	2	110.5940	9.116	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(O)2	108.4590	0.000	1	108.4590	0.000	1	110.5940	9.116	2	110.5940	9.116	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N(C[6]C[6]2H)(CCO)(H)	111.2220	0.000	1	111.2220	0.000	1	111.1398	0.756	5	111.1398	0.756	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.8120	0.000	1	110.8120	0.000	1	111.1398	0.756	5	111.1398	0.756	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6]C[6]2H)(CCO)(H)	111.2010	0.000	1	111.2010	0.000	1	111.1398	0.756	5	111.1398	0.756	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	112.4340	0.000	1	112.4340	0.000	1	111.1398	0.756	5	111.1398	0.756	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N(C[6]C[6]2H)(CCO)(H)	110.0300	0.000	1	110.0300	0.000	1	111.1398	0.756	5	111.1398	0.756	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CH3)	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	N(C[6]C[6]2H)(CCHH)(CCO)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCHH)(CCO)	116.1680	0.000	1	116.1680	0.000	1	116.1680	0.000	1	116.1680	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	108.8630	3.410	2	108.8630	11.626	2	108.8630	11.626	2	108.8630	11.626	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N(C[6]C[6]2H)(O)2	109.4520	0.018	2	109.4520	0.000	2	109.9762	0.370	4	109.9762	0.370	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(O)2	110.5005	0.095	2	110.5005	0.009	2	109.9762	0.370	4	109.9762	0.370	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.3984	0.442	5	110.3984	0.196	5	110.4622	0.662	9	110.4622	0.662	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CNO)(H)	111.9820	0.000	1	111.9820	0.000	1	110.4622	0.662	9	110.4622	0.662	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2{1|C<4>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.2840	0.000	1	110.2840	0.000	1	110.4622	0.662	9	110.4622	0.662	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.8530	0.000	1	110.8530	0.000	1	110.4622	0.662	9	110.4622	0.662	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.0490	0.000	1	109.0490	0.000	1	110.4622	0.662	9	110.4622	0.662	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N(C[6]C[6]2H)(CH3)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CH3)(COO)	112.3370	0.000	1	112.3370	0.000	1	112.3370	0.000	1	112.3370	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)2(PC[6]N[5]N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(PC[6]N[5]N)	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[5,6]C[6]H)(COO)(H)	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	111.5353	0.467	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	N(C[6]C[6]2H)(CCO)(H)	111.1815	0.524	4	111.3792	0.401	5	111.3792	0.401	5	111.5353	0.467	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	N(C[6]C[6]2H)(CCO)(H)	112.1700	0.000	1	111.3792	0.401	5	111.3792	0.401	5	111.5353	0.467	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	110.7540	0.000	1	110.7540	0.000	1	110.7445	0.000	2	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	110.7350	0.000	1	110.7350	0.000	1	110.7445	0.000	2	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	108.7905	0.066	2	108.5900	1.242	5	108.5900	1.242	5	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	108.4350	0.000	1	108.5900	1.242	5	108.5900	1.242	5	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	110.0210	0.000	1	108.5900	1.242	5	108.5900	1.242	5	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	N(C[6]C[6,6]C[6]H)(O)2	106.9130	0.000	1	108.5900	1.242	5	108.5900	1.242	5	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(O)2	108.2975	0.620	2	108.2975	0.385	2	108.1798	0.200	5	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	N(C[6]C[6]2H)(O)2	108.1013	0.430	3	108.1013	0.185	3	108.1798	0.200	5	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	N(C[6]C[6]2H)(O)2	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[6]C[6]2H)(O)2	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	108.7172	1.312	14	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	109.8635	0.274	2	109.8635	0.075	2	109.1073	1.134	10	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[5,6]C[6]H)(O)2	109.0800	0.029	3	109.1236	0.067	5	109.1073	1.134	10	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	109.1890	0.503	2	109.1236	0.067	5	109.1073	1.134	10	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N(C[6]C[5,6]C[6]H)(O)2	107.6515	1.657	2	107.6515	2.745	2	109.1073	1.134	10	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N(C[6]C[5,6]C[6]H)(O)2	110.4250	0.000	1	110.4250	0.000	1	109.1073	1.134	10	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.2750	0.424	2	107.2750	0.180	2	108.1709	2.001	7	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	110.0390	0.000	1	110.0390	0.000	1	108.1709	2.001	7	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	110.3790	0.000	1	110.3790	0.000	1	108.1709	2.001	7	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.4185	0.334	2	107.4185	0.112	2	108.1709	2.001	7	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.3910	0.000	1	107.3910	0.000	1	108.1709	2.001	7	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	104.5910	0.000	1	104.5910	0.000	1	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	105.6690	0.000	1	105.6690	0.000	1	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	N(C[6]C[6]2H)(O)2	108.5335	0.019	2	108.6860	0.070	3	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	108.9910	0.000	1	108.6860	0.070	3	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N(C[6]C[6]2H)(O)2	106.9077	0.091	3	108.0985	5.815	6	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.1095	4.064	2	108.0985	5.815	6	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.6490	0.000	1	108.0985	5.815	6	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.3910	2.885	2	107.3910	8.323	2	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	N(C[6]C[6]2H)(O)2	109.4960	0.000	1	109.4960	0.000	1	107.7991	4.498	14	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(O)2	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	N(C[6]C[6]2H)(O)2	109.5827	0.598	3	109.5827	0.357	3	109.6254	0.579	5	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	N(C[6]C[6]2H)(O)2	108.7980	0.000	1	108.7980	0.000	1	109.6254	0.579	5	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N(C[6]C[6]2H)(O)2	110.5810	0.000	1	110.5810	0.000	1	109.6254	0.579	5	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.5470	0.000	1	110.5470	0.000	1	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(O)2	111.6240	0.027	3	110.9772	1.143	5	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.0070	1.198	2	110.9772	1.143	5	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	109.4090	0.000	1	109.4090	0.000	1	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.9680	0.000	1	108.9680	0.000	1	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	112.7790	0.000	1	111.4950	3.297	2	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.2110	0.000	1	111.4950	3.297	2	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	N(C[6]C[6]2H)(O)2	110.5330	1.670	2	109.5733	4.158	3	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6]2H)(O)2	107.6540	0.000	1	109.5733	4.158	3	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	108.5660	0.000	1	108.5660	0.000	1	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(O)2	110.8300	0.000	1	110.8300	0.000	1	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	112.0420	0.000	1	112.0420	0.000	1	110.4349	2.105	16	109.0734	3.304	54	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	111.5530	0.028	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	111.5530	0.028	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]2)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6a]2)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	112.0310	0.148	2	112.0310	0.022	2	112.0310	0.022	2	112.0310	0.022	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	110.0168	0.775	4	110.0168	0.600	4	110.2534	2.213	11	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	109.6780	0.177	2	109.6780	0.031	2	110.2534	2.213	11	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	110.6728	2.152	5	110.6728	4.633	5	110.2534	2.213	11	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[4a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[4a]C[4a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[4a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[4a]C[4a]2)(C[6]C[6]2H)(H)	110.8360	1.133	2	110.8360	1.283	2	110.8360	1.283	2	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	110.7305	0.006	2	110.7305	0.000	2	109.9252	1.948	13	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)(H)	110.7000	3.222	2	110.7000	10.379	2	109.9252	1.948	13	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]N[5]O[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]N[5]O[5])(C[6]C[6]2H)(H)	109.4288	0.771	4	109.4288	0.594	4	109.9252	1.948	13	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]N[5]S[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]N[5]S[5])(C[6]C[6]2H)(H)	110.7235	1.904	2	110.7235	3.626	2	109.9252	1.948	13	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	109.2120	0.007	2	109.2120	0.000	2	109.9252	1.948	13	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	108.5800	0.000	1	108.5800	0.000	1	109.9252	1.948	13	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)	110.2650	2.686	2	110.2650	7.212	2	110.7356	2.813	16	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	110.5935	1.786	4	110.5935	3.191	4	110.7356	2.813	16	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	111.1805	1.657	6	111.1805	2.746	6	110.7356	2.813	16	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	110.2120	1.607	2	110.2120	2.581	2	110.7356	2.813	16	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]N[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]N[5a]S[5a])(C[6]C[6]2H)(H)	110.6795	2.614	2	110.6795	6.834	2	110.7356	2.813	16	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	110.1135	2.952	2	110.1135	8.715	2	110.0217	3.051	4	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	109.9300	0.636	2	109.9300	0.405	2	110.0217	3.051	4	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.1590	0.000	1	108.1590	0.000	1	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	114.4055	0.386	4	114.4055	0.149	4	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	112.6595	0.165	2	112.6595	0.027	2	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	112.2945	0.054	2	112.2945	0.003	2	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	110.2470	0.000	1	110.2470	0.000	1	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	109.8337	2.466	4	109.8337	6.083	4	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	110.0910	0.000	1	110.5299	3.389	15	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	110.8774	2.335	8	110.5299	3.389	15	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	110.1397	1.200	6	110.5299	3.389	15	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	110.3850	0.980	4	110.2025	0.904	6	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	109.8375	1.112	2	110.2025	0.904	6	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	110.7757	1.431	6	110.7757	2.049	6	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	110.0260	0.622	2	110.0260	0.387	2	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	109.4710	1.572	4	109.4710	2.470	4	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	110.6980	0.296	2	110.8432	1.166	4	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	110.9885	1.824	2	110.8432	1.166	4	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	110.7460	3.012	2	110.7460	9.074	2	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	111.6100	2.341	4	111.6100	5.479	4	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	111.3920	0.000	1	111.3920	0.000	1	110.8573	3.622	58	110.6514	3.121	105	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4a]-3:C[6]-4:O-2:	C[6](C[6]C[6]HH)2(NC[4a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(NC[4a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	110.8105	1.176	2	110.8105	1.383	2	110.8105	1.383	2	110.8105	1.383	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|N<3>,2|C<4>,5|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	112.1025	1.391	25	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	113.7960	0.000	1	113.7960	0.000	1	112.2481	0.899	24	112.1025	1.391	25	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	113.4910	1.132	3	113.4910	1.282	3	112.2481	0.899	24	112.1025	1.391	25	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	112.0353	1.103	6	112.0353	1.216	6	112.2481	0.899	24	112.1025	1.391	25	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	112.3265	0.340	4	111.9624	0.276	14	112.2481	0.899	24	112.1025	1.391	25	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	111.8168	0.526	10	111.9624	0.276	14	112.2481	0.899	24	112.1025	1.391	25	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[5]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[5]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	112.8755	1.346	2	112.8755	1.811	2	112.8755	1.811	2	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	111.6260	2.215	4	111.6260	4.904	4	111.6260	4.904	4	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	113.3310	0.187	2	113.3310	0.035	2	113.3310	0.035	2	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	112.4645	0.033	2	112.4645	0.001	2	112.0792	0.846	24	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	112.7180	0.190	2	112.7180	0.036	2	112.0792	0.846	24	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	111.8285	0.653	2	111.8285	0.426	2	112.0792	0.846	24	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	112.4760	1.274	2	112.4760	1.624	2	112.0792	0.846	24	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	112.8400	2.902	2	112.8400	8.421	2	112.0792	0.846	24	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	111.8034	0.631	14	111.8034	0.398	14	112.0792	0.846	24	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)2	113.3330	2.132	8	113.3330	4.546	8	113.3330	4.546	8	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	108.9360	0.000	1	108.9360	0.000	1	111.0820	9.211	2	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	113.2280	0.000	1	113.2280	0.000	1	111.0820	9.211	2	112.3249	2.300	42	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	108.6790	0.000	1	108.6790	0.000	1	108.0665	0.750	2	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	107.4540	0.000	1	107.4540	0.000	1	108.0665	0.750	2	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	N(C[6]C[6,6]C[6]H)(O)2	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]2H)(O)2	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.2840	1.474	2	108.3097	4.242	3	108.3097	4.242	3	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.3610	0.000	1	108.3097	4.242	3	108.3097	4.242	3	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(H)2	109.1090	0.536	6	109.1090	0.287	6	109.1090	0.287	6	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(O)2	107.7625	0.036	2	107.7847	0.002	3	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(O)2	107.8290	0.000	1	107.7847	0.002	3	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(O)2	108.2305	1.659	4	108.2305	2.754	4	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	110.0530	0.000	1	108.6865	3.735	2	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	107.3200	0.000	1	108.6865	3.735	2	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(O)2	110.1520	0.000	1	110.1520	0.000	1	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	104.3210	0.000	1	104.3210	0.000	1	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(O)2	106.7960	0.000	1	106.7960	0.000	1	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(O)2	108.7250	0.000	1	108.9500	0.101	2	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(O)2	109.1750	0.000	1	108.9500	0.101	2	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(O)2	107.1290	0.000	1	107.1290	0.000	1	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2H)(O)2	111.8790	0.000	1	111.8790	0.000	1	108.2391	3.314	16	108.4439	2.454	29	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2	N(C[6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2{1|O<2>,3|H<1>,4|C<4>}	N(C[6]C[3,6]C[6]H)(COO)(H)	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2	N(C[6]C[5,6]C[6]H)(CNO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2{1|H<1>,7|C<4>}	N(C[6]C[5,6]C[6]H)(CNO)(H)	110.6920	0.000	2	110.6920	0.000	2	110.6920	0.000	2	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	113.6270	0.000	1	113.6270	0.000	1	112.6965	1.732	2	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	111.7660	0.000	1	111.7660	0.000	1	112.6965	1.732	2	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2{1|C<4>,6|C<3>}	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2	N(C[6]C[6,6]C[6]H)(CNO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2{3|H<1>,5|C<4>}	N(C[6]C[6,6]C[6]H)(CNO)(H)	113.0060	0.000	2	113.0060	0.000	2	112.8910	0.040	3	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	N(C[6]C[6,6]C[6]H)(CCO)(H)	112.6610	0.000	1	112.6610	0.000	1	112.8910	0.040	3	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	N(C[6]C[6,6]C[6]H)(CCO)(H)	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.9410	0.000	1	110.9410	0.000	1	110.7690	0.928	3	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	109.7310	0.000	1	109.7310	0.000	1	110.7690	0.928	3	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.6350	0.000	1	111.6350	0.000	1	110.7690	0.928	3	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	N(C[6]C[6]2H)(CCO)(H)	111.8010	0.000	1	111.8010	0.000	1	110.8911	1.148	24	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)(H)	110.1160	1.413	2	110.1160	1.996	2	110.8911	1.148	24	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]C)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	N(C[6]C[6]2H)(CC[6]C)(H)	112.3193	0.331	3	112.3193	0.110	3	110.8911	1.148	24	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2{1|O<1>,3|C<4>,6|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.3595	0.757	2	110.3595	0.574	2	110.8911	1.148	24	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	110.1935	0.599	2	110.1935	0.359	2	110.8911	1.148	24	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]O)(H)	110.6551	1.151	8	110.6551	1.326	8	110.8911	1.148	24	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.0082	0.868	6	111.0082	0.753	6	110.8911	1.148	24	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)(H)	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	112.0870	0.000	1	112.0870	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.3960	0.000	1	109.3960	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.5480	0.000	1	110.5480	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.1660	0.000	1	111.1660	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CNO)(H)	110.1120	1.121	2	110.1120	1.258	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCN)(H)	109.7430	0.000	1	109.7430	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.8240	0.000	1	111.8240	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6]O)(H)	111.1325	0.223	4	111.1325	0.050	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.5225	0.350	2	110.5225	0.123	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.6750	1.014	4	110.8441	1.285	10	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.9568	1.288	6	110.8441	1.285	10	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6]O)(H)	111.6082	1.004	18	111.6082	1.008	18	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.2320	0.000	1	111.0910	0.040	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.9500	0.000	1	111.0910	0.040	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.0282	0.721	5	111.8057	0.714	6	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.6930	0.000	1	111.8057	0.714	6	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCC)(H)	111.1565	1.790	6	111.1565	3.204	6	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCH)(H)	113.9620	0.000	1	113.9620	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CCN)(H)	105.9130	0.000	1	107.5130	10.350	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCN)(H)	108.0463	3.717	3	107.5130	10.350	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.6508	0.937	32	110.6866	0.894	33	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.8330	0.000	1	110.6866	0.894	33	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCS)(H)	110.3000	0.252	2	110.3000	0.063	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	109.1100	0.000	1	111.0207	4.283	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	111.6577	1.998	3	111.0207	4.283	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6]H)(H)	110.0825	0.228	2	110.6040	0.842	3	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6]H)(H)	111.6470	0.000	1	110.6040	0.842	3	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]C)(H)	110.9950	0.000	1	110.9950	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]H)(H)	110.7420	0.000	1	110.9817	2.323	7	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]H)(H)	111.0217	1.666	6	110.9817	2.323	7	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]N)(H)	110.5350	1.137	2	110.5350	1.293	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.0397	1.230	7	111.0397	1.513	7	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(CNO)(H)	112.8140	0.000	1	111.6796	1.873	10	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CNO)(H)	111.3009	1.244	8	111.6796	1.873	10	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CNO)(H)	113.5750	0.000	1	111.6796	1.873	10	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.2212	0.909	22	110.2212	0.826	22	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.5850	1.481	2	110.8650	1.331	3	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	111.4250	0.000	1	110.8650	1.331	3	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.2650	0.533	2	110.3992	1.158	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.5335	0.439	2	110.3992	1.158	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.1950	0.000	1	111.1950	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]O)(H)	112.3160	0.000	1	112.3160	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	109.8830	0.000	1	109.8830	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.7270	0.897	2	110.7270	0.804	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)(H)	110.1105	1.988	2	110.1105	3.951	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.4745	0.084	2	110.4745	0.007	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.8785	0.158	2	110.8785	0.025	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.1820	0.129	2	110.1820	0.017	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCC)(H)	109.4605	1.505	2	109.4605	2.266	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)(H)	110.3023	1.544	20	110.3023	2.383	20	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	112.4520	0.000	1	110.8817	1.132	73	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.2025	0.758	6	110.8817	1.132	73	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.8287	1.077	66	110.8817	1.132	73	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	110.4801	1.633	8	110.4801	2.666	8	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5,6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5,6]O)(H)	111.0660	1.004	2	111.0660	1.008	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]H)(H)	110.3585	2.809	2	110.3585	7.892	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]N)(H)	109.6577	0.838	12	109.6577	0.701	12	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	111.0597	1.589	16	111.0597	2.525	16	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]H)(H)	110.5126	1.473	22	110.5126	2.171	22	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]W)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]W)(H)	109.8505	0.950	2	109.8505	0.902	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]H)(H)	111.0065	0.390	2	111.0065	0.152	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]O)(H)	110.6813	1.131	10	110.6813	1.278	10	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]S)(H)	110.8145	0.904	2	110.8145	0.818	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]C)(H)	110.5945	0.432	2	110.5945	0.187	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]N)(H)	111.3655	2.036	2	111.3655	4.144	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.5440	0.949	4	110.4240	0.799	39	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.2060	0.308	2	110.4240	0.799	39	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.4576	0.956	29	110.4240	0.799	39	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.1697	0.711	4	110.4240	0.799	39	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CHN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CHN)(H)	111.5610	0.868	2	111.5610	0.754	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CHO)(H)	110.9280	1.765	2	110.9280	3.115	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNN)(H)	110.2921	1.610	38	110.2921	2.593	38	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)(H)	110.6952	1.074	58	110.6952	1.154	58	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNP)(H)	110.2930	1.597	24	110.2930	2.551	24	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.3241	1.386	62	110.3241	1.921	62	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]N)(H)	111.1250	1.621	2	111.1250	2.627	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]O)(H)	110.1215	0.463	4	110.1215	0.214	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5]Pd)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]Pd)(H)	110.3415	0.985	4	110.3415	0.970	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]S)(H)	110.3990	1.499	2	110.3990	2.247	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]Se)(H)	109.7602	1.011	4	109.7602	1.023	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5a]N)(H)	110.4239	1.456	16	110.4239	2.119	16	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5a]Pd)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5a]Pd)(H)	109.1930	0.057	2	109.1930	0.003	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)(H)	110.7626	3.211	12	110.7626	10.310	12	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[6]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]Se)(H)	109.8855	1.363	6	109.8855	1.856	6	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.7200	0.058	2	110.5900	1.475	42	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	111.0537	1.301	6	110.5900	1.475	42	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.3829	1.104	34	110.5900	1.475	42	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COP)(H)	110.3475	0.821	2	110.6005	0.312	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(COP)(H)	110.8535	0.069	2	110.6005	0.312	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COS)(H)	110.2085	1.139	2	110.2085	1.298	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CPdN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CPdN)(H)	109.6647	2.049	8	109.6647	4.197	8	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CRuC)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CRuC)(H)	109.6675	1.822	2	109.6675	3.320	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CSeN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CSeN)(H)	110.1294	1.140	12	110.1294	1.300	12	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.9832	0.620	10	109.9167	0.339	12	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.5845	0.028	2	109.9167	0.339	12	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	111.3635	0.435	2	111.3635	0.189	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	109.8012	0.776	4	110.4485	1.403	6	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.7430	0.430	2	110.4485	1.403	6	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(COO)(H)	109.7100	0.000	1	109.7100	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[5a]O)(H)	110.7283	1.410	12	110.7283	1.988	12	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CNS)(H)	109.9665	1.628	2	110.2643	1.445	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.5620	1.153	2	110.2643	1.445	4	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.7880	0.000	1	111.7880	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.0470	0.335	2	110.0470	0.112	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.8800	0.000	1	110.8800	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	108.9720	0.000	1	108.9720	0.000	1	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.8285	0.149	2	110.8285	0.022	2	110.5625	1.804	740	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[6]HH)2(NCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]HH)2(NCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCH)(O)	110.1330	1.484	2	110.1330	2.201	2	110.1330	2.201	2	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[4]C[4]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(C[4]C[4]2)(H)	108.8195	1.244	2	108.8195	1.547	2	108.8195	1.547	2	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[5]C[5]2)(H)	110.7386	0.907	8	110.7386	0.823	8	110.7491	1.063	10	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[5]N[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[5]N[5]2)(H)	110.7910	1.949	2	110.7910	3.798	2	110.7491	1.063	10	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	110.2105	1.815	4	110.0844	1.447	12	110.1275	2.339	16	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	110.0214	0.921	8	110.0844	1.447	12	110.1275	2.339	16	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	109.8785	2.676	2	109.8785	7.163	2	110.1275	2.339	16	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(C[6]N[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(C[6]N[6]2)(H)	110.6350	3.369	2	110.6350	11.348	2	110.1275	2.339	16	110.5763	1.815	810	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	108.7525	0.866	2	108.7525	0.750	2	108.7525	0.750	2	108.7525	0.750	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)2	112.0370	0.000	1	112.0370	0.000	1	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(CNO)	112.0900	0.402	8	112.0900	0.161	8	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)2	113.4095	1.042	2	113.4095	1.085	2	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]O)(CNO)	111.5395	0.513	2	111.5395	0.263	2	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	112.0775	1.340	2	112.0775	1.796	2	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CNN)	112.1759	1.029	10	112.1759	1.059	10	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(CNO)	111.8395	0.698	22	111.8395	0.487	22	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNN)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNN)2	113.9495	4.103	2	113.9495	16.837	2	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)2	113.1965	0.032	2	113.1965	0.001	2	112.1437	1.113	51	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2)(CCN)	111.6125	1.084	2	111.6125	1.175	2	112.5378	5.882	4	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	113.4630	3.612	2	113.4630	13.046	2	112.5378	5.882	4	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:P-3:	C[6](C[6]C[6]HH)2(NPP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]N)2	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]N)2	112.9410	1.686	2	112.9410	2.842	2	112.9410	2.842	2	112.1993	1.390	57	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-4:	C[6](C[6]C[6,6]HH)2(NCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]C)(CH3)	C[6](C[6]C[6,6]HH)2(NCC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	N(C[6]C[6]2H)(CC[6]C)(CH3)	111.8690	0.658	4	111.8690	0.434	4	111.8690	0.434	4	112.1521	0.581	13	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]O)(CH3)	111.0210	0.000	1	111.0210	0.000	1	111.8300	0.497	3	112.1521	0.581	13	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]C)(CH3)	112.2345	0.114	2	112.2345	0.013	2	111.8300	0.497	3	112.1521	0.581	13	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]N)(CH3)	112.5018	0.814	6	112.5018	0.663	6	112.5018	0.663	6	112.1521	0.581	13	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[3,6]C[6]H)(SO3)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N(C[6]C[3,6]C[6]H)(SO3)(H)	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	116.0250	0.000	1	116.0250	0.000	1	111.9918	7.535	5	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNPW)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNPW)(H)	110.8010	2.208	2	110.8010	4.873	2	111.9918	7.535	5	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CYbNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CYbNN)(H)	111.1660	2.191	2	111.1660	4.799	2	111.9918	7.535	5	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(PC[6a]3)(H)	111.5800	0.000	1	111.5800	0.000	1	110.7563	10.290	43	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PRuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(PRuCC)(H)	103.2155	2.045	4	103.2155	4.180	4	110.7563	10.290	43	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PN3)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PN3)(H)	111.7880	1.256	12	111.7880	1.577	12	110.7563	10.290	43	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNNO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNO)(H)	111.6255	2.733	20	111.6255	7.470	20	110.7563	10.290	43	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNNS)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNS)(H)	111.3920	0.000	1	111.3920	0.000	1	110.7563	10.290	43	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PO3)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(PO3)(H)	110.5446	0.964	5	110.5446	0.930	5	110.7563	10.290	43	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	110.8845	1.442	22	110.8845	2.079	22	110.8845	2.079	22	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.5960	0.000	1	109.5960	0.000	1	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.2220	0.000	1	111.2220	0.000	1	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.7815	2.688	2	109.9827	3.733	3	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.3850	0.000	1	109.9827	3.733	3	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.1320	0.284	2	110.1320	0.081	2	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.7660	0.877	2	109.7660	0.769	2	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(SCOO)(H)	109.8865	2.652	2	109.8865	7.035	2	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|S<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.4850	1.888	2	109.4850	3.564	2	109.9465	1.770	13	110.7438	6.338	87	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-2:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(BFe)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(BFe)	111.6734	1.114	8	111.6734	1.240	8	111.6727	0.864	12	111.6727	0.864	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-2:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(BIr)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(BIr)	111.6713	0.522	4	111.6713	0.273	4	111.6727	0.864	12	111.6727	0.864	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	110.8180	1.048	2	110.8180	1.098	2	110.8180	1.098	2	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:B-3:	C[6](C[6]C[6]HH)2(NBC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C[6](C[6]C[6]HH)2(NBC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	112.8995	1.295	2	112.8995	1.676	2	112.8995	1.676	2	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	112.8450	0.426	2	112.8450	0.181	2	111.9580	1.522	26	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(CHN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(CHN)	110.9020	0.834	4	110.9020	0.696	4	111.9580	1.522	26	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(CIrN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(CIrN)	112.2345	1.348	8	112.2345	1.817	8	111.9580	1.522	26	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(CRhN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(CRhN)	112.3500	1.810	4	112.3500	3.278	4	111.9580	1.522	26	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(CNO)	112.1360	0.337	2	112.1360	0.113	2	111.9580	1.522	26	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(CNS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(CNS)	112.2925	1.445	2	112.2925	2.087	2	111.9580	1.522	26	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(CSS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(CSS)	111.3695	0.838	4	111.3695	0.702	4	111.9580	1.522	26	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(BClRu)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(BClRu)	113.3293	0.579	4	113.3293	0.336	4	113.5625	1.576	11	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(BIrH)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(BIrH)	113.1800	1.009	3	113.1800	1.019	3	113.5625	1.576	11	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(BN[6]Fe)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(BN[6]Fe)	114.0828	1.912	4	114.0828	3.657	4	113.5625	1.576	11	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CCO)	112.6026	0.886	28	112.6026	0.785	28	112.8266	1.732	72	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CC[6]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CC[6]O)	112.5760	0.500	4	112.5760	0.250	4	112.8266	1.732	72	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CC[6a]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CC[6a]O)	111.9822	0.710	16	111.9822	0.504	16	112.8266	1.732	72	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CNN)	114.6193	1.588	12	114.6193	2.523	12	112.8266	1.732	72	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(COS)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(COS)	112.7365	0.404	4	112.7365	0.163	4	112.8266	1.732	72	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CPdN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CPdN)	112.6415	1.768	4	112.6415	3.125	4	112.8266	1.732	72	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)2(CCO)	112.9195	1.153	4	112.9195	1.329	4	112.8266	1.732	72	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[3]-3:	C[6](C[6]C[6]HH)2(NC[3]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(C[3]C[3]2)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(C[3]C[3]2)	112.0699	1.212	16	112.0699	1.469	16	112.0699	1.469	16	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[4]-3:	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(C[4]N[4]2)	114.9496	1.139	68	114.9496	1.298	68	114.9496	1.298	68	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(NC[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(NOO)	C[6](C[6]C[6]HH)2(NC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(NOO)	112.9045	0.757	4	112.9045	0.574	4	112.9045	0.574	4	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(PC[6a]N[6])	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(PC[6a]N[6])	113.3252	1.151	4	113.3252	1.324	4	112.6388	1.183	8	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(PCl2)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(PCl2)	111.9522	0.425	4	111.9522	0.181	4	112.6388	1.183	8	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si[4]-3:	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(Si[4]N[4]2)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(Si[4]N[4]2)	112.9262	0.925	4	112.9262	0.855	4	112.9262	0.855	4	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Ge-4:C-3:	C[6](C[6]C[6]HH)2(NGeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(GeSe2N)(CCN)	C[6](C[6]C[6]HH)2(NGeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(GeSe2N)(CCN)	114.2398	1.059	4	114.2398	1.123	4	114.2398	1.123	4	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	115.2130	2.120	2	115.2130	4.494	2	115.2130	4.494	2	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	112.9725	0.217	2	112.9725	0.047	2	112.9725	0.047	2	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:C-3:	C[6](C[6]C[6]HH)2(NSiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SiC3)(CNN)	113.5120	2.184	4	113.5120	4.769	4	113.5120	4.769	4	113.3891	2.781	225	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	113.9700	0.782	2	113.9700	0.612	2	113.9700	0.612	2	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	110.2390	0.000	1	110.6600	0.354	2	110.6600	0.354	2	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	111.0810	0.000	1	110.6600	0.354	2	110.6600	0.354	2	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:P-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(PN3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(PN3)	112.2129	0.823	8	112.2129	0.677	8	112.2129	0.677	8	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	111.7050	0.000	1	112.4045	0.979	2	112.4243	1.433	4	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	113.1040	0.000	1	112.4045	0.979	2	112.4243	1.433	4	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	112.4440	1.822	2	112.4440	3.318	2	112.4243	1.433	4	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CRhNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CRhNN)	114.5085	1.477	4	114.5085	2.182	4	114.3577	1.220	16	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CSbNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CSbNN)	114.3840	1.220	8	114.3840	1.489	8	114.3577	1.220	16	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CZnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CZnNN)	114.1545	0.597	4	114.1545	0.356	4	114.3577	1.220	16	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(PC[6]N[5]N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	N(C[6]C[6]2H)2(PC[6]N[5]N)	114.4870	0.000	1	113.0787	4.934	3	113.3891	2.082	29	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(PC[6]N[5]N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(PC[6]N[5]N)	112.3745	2.625	2	113.0787	4.934	3	113.3891	2.082	29	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(PHNN)	113.7938	1.149	18	113.7938	1.321	18	113.3891	2.082	29	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(PHPW)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(PHPW)	112.5951	1.590	8	112.5951	2.528	8	113.3891	2.082	29	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(SCOO)	112.9819	1.440	8	112.9819	2.075	8	113.0668	1.737	12	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[6]S)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)2(SCOO)	113.2368	1.213	4	113.2368	1.470	4	113.0668	1.737	12	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]CrN)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]CrN)(CH3)	112.7747	0.153	4	112.7747	0.023	4	112.4059	0.789	22	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNO)(CH3)	112.3239	0.965	18	112.3239	0.931	18	112.4059	0.789	22	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:P-4:	C[6](C[6]C[6]HH)2(NPP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]2Cr)2	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2Cr)2	113.1230	1.544	2	113.1230	2.385	2	113.1230	2.385	2	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	113.7910	0.000	1	113.7910	0.000	1	112.4612	1.439	14	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	112.0485	0.500	2	112.0485	0.250	2	112.4612	1.439	14	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	112.7810	0.000	1	112.7810	0.000	1	112.4612	1.439	14	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	112.3788	1.341	10	112.3788	1.798	10	112.4612	1.439	14	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:S-4:	C[6](C[6]C[6]HH)2(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)2	C[6](C[6]C[6]HH)2(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)2	113.2795	1.033	2	113.2795	1.067	2	113.2795	1.067	2	113.0186	1.856	114	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	110.6590	0.281	2	110.6590	0.079	2	110.6590	0.079	2	110.6590	0.079	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:Br-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br)	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H)	N(C[6]C[6]2Br)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2Br)(O)2	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	112.9905	1.767	2	112.9905	3.123	2	112.9905	3.123	2	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(O)2	107.6860	0.000	1	107.6860	0.000	1	107.8995	0.091	2	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N(C[6]C[6]2H)(O)2	108.1130	0.000	1	108.1130	0.000	1	107.8995	0.091	2	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(O)2	109.4930	1.049	2	109.4930	1.101	2	108.5640	2.298	6	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HN)2(OC)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[6]C[6]2H)(O)2	107.2800	0.000	1	107.2800	0.000	1	108.5640	2.298	6	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)2(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HO)2(NOO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(O)2	108.6485	2.539	2	108.6485	6.448	2	108.5640	2.298	6	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[6]C[6]2H)(O)2	107.8210	0.000	1	107.8210	0.000	1	108.5640	2.298	6	109.1383	4.648	12	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	109.4955	0.448	2	109.7680	0.323	3	109.4082	0.733	4	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	110.3130	0.000	1	109.7680	0.323	3	109.4082	0.733	4	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	108.3290	0.000	1	108.3290	0.000	1	109.4082	0.733	4	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.9270	0.000	1	110.9270	0.000	1	110.7950	0.151	3	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.3570	0.000	1	110.3570	0.000	1	110.7950	0.151	3	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCO)(H)	111.1010	0.000	1	111.1010	0.000	1	110.7950	0.151	3	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)(H)	112.1790	0.000	1	112.1790	0.000	1	111.0789	0.629	8	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	112.3000	0.000	1	112.3000	0.000	1	111.0789	0.629	8	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]H)(H)	110.7540	0.079	2	110.7540	0.006	2	111.0789	0.629	8	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)(H)	109.9960	0.000	1	109.9960	0.000	1	111.0789	0.629	8	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.5430	0.000	1	110.5430	0.000	1	111.0789	0.629	8	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.9520	0.000	1	110.9520	0.000	1	111.0789	0.629	8	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)2(NN)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6]C[6]2H)(CCO)(H)	111.1530	0.000	1	111.1530	0.000	1	111.0789	0.629	8	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.5170	0.000	1	111.5170	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.8765	0.537	2	109.8765	0.288	2	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	106.2065	0.289	2	106.2065	0.084	2	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.9040	0.000	1	112.9040	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	108.0220	0.000	1	108.0220	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.1800	0.000	1	110.1800	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	112.5600	0.000	1	112.5600	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.3160	0.000	1	109.3160	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.4270	0.000	1	110.4270	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)2(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6]C[6]2H)(CCO)(H)	112.1630	0.000	1	112.1630	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.2290	1.339	2	110.2290	1.794	2	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCO)(H)	111.1061	1.330	7	111.1061	1.768	7	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[5]O)(H)	109.8090	0.000	1	109.8090	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCO)(H)	111.2460	1.098	5	111.2460	1.206	5	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]O)(H)	112.1330	0.000	1	112.1330	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CHO)(H)	110.6040	0.000	1	110.6040	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(COO)(H)	109.9760	0.110	2	109.9760	0.012	2	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)2(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCO)(H)	112.3850	0.000	1	112.3850	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	108.5160	0.000	1	108.5160	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	N(C[6]C[6]2H)(CCO)(H)	108.2670	0.000	1	108.2670	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.3660	0.000	1	112.3660	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CCO)(H)	110.9920	0.000	1	110.9920	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CCO)(H)	109.1560	0.000	1	109.1560	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)2(OH)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	109.6020	0.000	1	109.6020	0.000	1	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.2640	2.492	2	111.2640	6.209	2	110.4999	2.875	40	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.8880	0.000	1	110.8880	0.000	1	111.5420	0.855	2	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	112.1960	0.000	1	112.1960	0.000	1	111.5420	0.855	2	110.5243	2.334	58	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.1030	0.850	2	111.1030	0.722	2	111.1030	0.722	2	110.8988	0.432	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.5120	0.000	1	111.5120	0.000	1	110.7627	0.434	3	110.8988	0.432	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.3880	0.158	2	110.3880	0.025	2	110.7627	0.434	3	110.8988	0.432	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	112.9510	1.143	2	112.9510	1.306	2	112.9510	1.306	2	112.9510	1.306	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HO)2(NCS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	113.0540	0.000	1	113.0540	0.000	1	113.3465	0.171	2	113.3093	0.090	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HO)2(NCS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	113.6390	0.000	1	113.6390	0.000	1	113.3465	0.171	2	113.3093	0.090	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	113.2350	0.000	1	113.2350	0.000	1	113.2350	0.000	1	113.3093	0.090	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:2:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	109.6510	0.704	2	109.6510	0.496	2	109.6510	0.496	2	109.6510	0.496	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	110.0270	0.000	1	110.0270	0.000	1	108.0973	2.995	3	108.4771	2.478	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	107.1325	0.636	2	107.1325	0.404	2	108.0973	2.995	3	108.4771	2.478	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(O)2	110.0130	0.000	1	110.0130	0.000	1	109.4850	0.558	2	108.4771	2.478	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N(C[6]C[6]2H)(O)2	108.9570	0.000	1	108.9570	0.000	1	109.4850	0.558	2	108.4771	2.478	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(O)2	111.3160	0.000	1	111.3160	0.000	1	108.3018	3.284	5	108.4771	2.478	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[6]C[6]2H)(O)2	107.5482	0.770	4	107.5482	0.593	4	108.3018	3.284	5	108.4771	2.478	10	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.9388	1.910	5	111.2793	2.976	8	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.0795	0.614	2	111.2793	2.976	8	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.3810	0.000	1	111.2793	2.976	8	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]O)(H)	112.0943	1.632	16	112.1459	2.259	20	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]O)(H)	112.3525	0.959	4	112.1459	2.259	20	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.9580	1.501	5	111.4597	2.259	7	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.7140	0.369	2	111.4597	2.259	7	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.0805	0.353	2	110.0805	0.125	2	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]O)(H)	112.6720	0.137	2	112.6720	0.019	2	111.7661	2.374	39	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]C)(H)	112.5460	0.000	1	112.5460	0.000	1	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)(H)	112.0230	0.258	5	112.0230	0.067	5	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.9680	0.666	2	110.9680	0.444	2	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCC)(H)	109.4077	0.882	6	109.4077	0.777	6	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCH)(H)	109.8720	0.000	1	109.8720	0.000	1	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)(H)	111.8503	2.205	3	111.8503	4.861	3	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	110.4672	0.990	30	110.4672	0.981	30	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCS)(H)	112.5815	0.060	2	112.5815	0.004	2	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	110.3917	1.583	3	110.3917	2.506	3	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]H)(H)	108.5150	0.000	1	108.5150	0.000	1	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)(H)	108.9755	0.875	6	108.9755	0.765	6	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]N)(H)	110.8600	1.462	2	110.8600	2.138	2	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.5364	1.953	7	111.5364	3.814	7	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CNO)(H)	113.9560	0.000	1	110.9606	10.453	5	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	N(C[6]C[6]2H)(CNO)(H)	107.7390	0.000	1	110.9606	10.453	5	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)(H)	111.0360	3.350	3	110.9606	10.453	5	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)(H)	110.7606	1.163	17	110.7606	1.352	17	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	110.3430	0.000	1	110.3430	0.000	1	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)(H)	109.1130	0.000	1	109.1130	0.000	1	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(COO)(H)	111.0610	0.000	1	111.0610	0.000	1	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	N(C[6]C[6]2H)(CCO)(H)	113.1330	0.000	1	113.1330	0.000	1	110.6637	2.262	95	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[4]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(C[4]C[4]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[4]C[4]2)(H)	109.3870	0.413	2	109.3870	0.171	2	109.3870	0.171	2	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N(C[6]C[6]2H)(CNS)(H)	109.3020	0.390	2	109.3020	0.152	2	110.0200	1.623	3	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	N(C[6]C[6]2H)(CCO)(H)	111.4560	0.000	1	111.4560	0.000	1	110.0200	1.623	3	110.9407	2.518	139	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)2	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	N(C[6]C[6]2H)(PC[6a]3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]3)(H)	109.0950	0.000	1	109.0950	0.000	1	111.4964	6.303	5	111.4567	4.289	7	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	N(C[6]C[6]2H)(PRuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PRuCC)(H)	112.0968	2.450	4	112.0968	6.001	4	111.4964	6.303	5	111.4567	4.289	7	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.8540	0.000	1	111.8540	0.000	1	111.3575	0.493	2	111.4567	4.289	7	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.8610	0.000	1	110.8610	0.000	1	111.3575	0.493	2	111.4567	4.289	7	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	110.4095	0.886	2	110.4095	0.785	2	110.4095	0.785	2	110.4095	0.785	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	110.4510	0.443	4	110.4510	0.197	4	110.6532	0.566	6	110.6532	0.566	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	111.0575	1.323	2	111.0575	1.750	2	110.6532	0.566	6	110.6532	0.566	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	113.3457	0.383	3	113.3457	0.147	3	113.3457	0.147	3	113.3457	0.147	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2H)(O)2	110.9550	0.000	1	110.9550	0.000	1	110.3342	3.977	5	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2H)(O)2	107.8550	0.000	1	107.8550	0.000	1	110.3342	3.977	5	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	113.1660	0.000	1	113.1660	0.000	1	110.3342	3.977	5	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	109.1830	0.000	1	109.1830	0.000	1	110.3342	3.977	5	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(O)2	110.5120	0.000	1	110.5120	0.000	1	110.3342	3.977	5	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N(C[6]C[6]2H)(O)2	114.4720	0.000	1	114.4720	0.000	1	113.2150	3.160	2	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	111.9580	0.000	1	111.9580	0.000	1	113.2150	3.160	2	111.0307	4.159	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	110.3080	0.294	2	110.3080	0.087	2	110.3080	0.087	2	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H){4|H<1>,5|C<4>}	N(C[6]C[6]2H)(CC[6a]O)(H)	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]O)(H)	112.1640	0.000	1	112.1640	0.000	1	112.2190	1.259	10	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	112.2070	1.146	6	112.2070	1.313	6	112.2190	1.259	10	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)(H)	112.6620	0.000	1	112.6620	0.000	1	112.2190	1.259	10	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.5580	0.000	1	110.5580	0.000	1	112.2190	1.259	10	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(COO)(H)	113.5640	0.000	1	113.5640	0.000	1	112.2190	1.259	10	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)(H)	109.0750	0.000	1	109.0750	0.000	1	111.6575	3.713	6	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)(H)	109.6500	0.000	1	109.6500	0.000	1	111.6575	3.713	6	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6]2H)(CCO)(H)	112.8050	0.931	4	112.8050	0.866	4	111.6575	3.713	6	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	111.8576	2.125	21	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	113.3220	0.130	2	113.3220	0.017	2	113.3220	0.017	2	113.3220	0.017	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	N(C[6]C[6]2H)(CH3)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	N(C[6]C[6]2H)(CH3)(COO)	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6,6]C[6]H)(O)2	108.7575	0.224	2	108.7575	0.050	2	108.7575	0.050	2	109.5603	0.589	18	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(O)2	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	109.5603	0.589	18	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.3480	0.000	1	108.3480	0.000	1	109.6047	0.554	15	109.5603	0.589	18	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	109.8441	0.665	11	109.8441	0.442	11	109.6047	0.554	15	109.5603	0.589	18	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(O)2	109.4155	0.257	2	109.4155	0.066	2	109.6047	0.554	15	109.5603	0.589	18	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(O)2	108.6060	0.000	1	108.6060	0.000	1	109.6047	0.554	15	109.5603	0.589	18	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	N(C[6]C[6,6]C[6]H)(CCH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6,6]C[6]H)(CCH)(O)	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:3:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	N(C[6]C[5,6]C[6]H)(CHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(CHO)(H)	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	N(C[6]C[6,6]C[6]H)(CCO)(H)	114.0330	0.000	1	114.0330	0.000	1	114.0330	0.000	1	113.0080	2.101	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(H)	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	113.0080	2.101	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-4:N-3:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N-2:O-1:	C[6](C[6]O[6]HH)2(NNO)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	N(C[6]C[6]2O)(NC[6])(O)	C[6](C[6]O[6]HH)2(NNO)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2O)(NC[6])(O)	111.0325	6.820	2	111.0325	46.513	2	111.0325	46.513	2	111.0325	46.513	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:3:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]N[6]HH)2(NOO)(NN)	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2	N(C[6]C[6]2N)(O)2	C[6](C[6]N[6]HH)2(NOO)(NN){1|C<4>,2|N<3>}	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N(C[6]C[6]2N)(O)2	106.7475	0.306	2	106.7475	0.094	2	106.7475	0.094	2	106.7475	0.094	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-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	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	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>}	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	111.4110	4.818	2	111.4110	23.215	2	111.4110	23.215	2	111.4110	23.215	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2N)(O)2	104.4120	0.000	1	104.4120	0.000	1	104.4120	0.000	1	104.4120	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-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	N(C[6]C[6]2C)(CC[6a]O)(H)	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>}	N(C[6]C[6]2C)(CC[6a]O)(H)	110.4295	2.405	2	110.4295	5.783	2	110.4295	5.783	2	110.4295	5.783	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:	C[6](C[6]C[6]HH)2(NCO)(CN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CNO)(OH)	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>}	N(C[6]C[6]2C)(CNO)(OH)	110.8635	1.859	4	110.8635	3.456	4	110.8635	3.456	4	110.8635	3.456	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2N)(O)2	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H){4|C<3>,4|H<1>}	N(C[6]C[6]2C)(O)2	109.1800	0.000	1	109.1800	0.000	1	108.7585	0.417	4	108.7585	0.417	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO){1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	N(C[6]C[6]2C)(O)2	108.6180	0.712	3	108.6180	0.508	3	108.7585	0.417	4	108.7585	0.417	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2C)(O)2	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	108.0505	2.316	2	108.0505	5.363	2	109.8940	8.256	4	109.8940	8.256	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)2(COO)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6]2C)(CHO)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(NCH){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6]2C)(CHO)(H)	111.7375	2.411	2	111.7375	5.811	2	109.8940	8.256	4	109.8940	8.256	4	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	N(C[6]C[6]2C)(CCO)(H)	111.0760	0.000	1	111.0760	0.000	1	109.8465	2.957	15	109.8465	2.957	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2C)(CC[6]O)(H)	109.0330	1.418	2	109.8765	2.371	6	109.8465	2.957	15	109.8465	2.957	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(CC[6]O)(H)	110.2982	1.603	4	109.8765	2.371	6	109.8465	2.957	15	109.8465	2.957	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(COO)(H)	109.9808	2.442	4	109.9808	5.962	4	109.8465	2.957	15	109.8465	2.957	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(COO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(COO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(CC[6]O)(H)	109.3597	1.744	4	109.3597	3.043	4	109.8465	2.957	15	109.8465	2.957	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:2:4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(CCO)(H)	107.1050	0.000	1	107.1050	0.000	1	107.1050	0.000	1	107.1050	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH){3|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	110.0965	0.350	2	110.0965	0.123	2	110.0965	0.123	2	109.9793	0.102	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.9793	0.102	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(O)2	108.9785	0.329	2	108.9785	0.108	2	108.1971	3.697	7	108.1971	3.697	7	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(O)2	105.6605	1.602	2	105.6605	2.565	2	108.1971	3.697	7	108.1971	3.697	7	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2C)(O)2	109.3673	0.809	3	109.3673	0.655	3	108.1971	3.697	7	108.1971	3.697	7	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2	N(C[6]C[6,6]C[6]C)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2{1|H<1>,2|C<3>,2|C<4>}	N(C[6]C[6,6]C[6]C)(CCO)(H)	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2C)(CCC)(H)	106.0190	0.000	1	106.0190	0.000	1	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH){1|C<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	107.0160	0.000	1	107.0160	0.000	1	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|N<3>,2|C<3>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	106.9330	0.000	1	106.9330	0.000	1	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){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>}	N(C[6]C[6]2C)(CCO)(H)	109.8657	0.654	6	109.8657	0.428	6	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){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>}	N(C[6]C[6]2C)(CC[5]O)(H)	110.2388	2.156	6	110.2388	4.649	6	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	111.4610	0.000	1	109.5893	4.807	3	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){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>}	N(C[6]C[6]2C)(CC[6a]O)(H)	108.6535	2.088	2	109.5893	4.807	3	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){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>}	N(C[6]C[6]2C)(COO)(H)	109.3882	2.661	6	109.3882	7.080	6	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|N<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2C)(CCO)(H)	109.7090	1.801	4	109.7090	3.243	4	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	104.7650	0.000	1	104.7650	0.000	1	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(COO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2C)(CCO)(H)	110.1622	0.862	6	110.1622	0.743	6	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(COO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	109.1685	2.555	4	109.1685	6.530	4	109.4087	4.153	39	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2{4|C<4>,4|H<1>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	108.6010	0.126	2	108.6010	0.016	2	108.6010	0.016	2	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	111.2765	1.570	2	111.2765	2.466	2	109.8870	4.517	4	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	108.4975	1.834	2	108.4975	3.362	2	109.8870	4.517	4	109.4171	3.858	46	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(COO)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(COO)(NHS){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>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	109.7945	4.161	2	109.7945	17.317	2	109.7945	17.317	2	109.7945	17.317	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	N(C[6]C[6]2C)(CCO)(H)	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH){1|C<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH)	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<4>,8|H<1>}	N(C[6]C[6]2C)(CCC)(H)	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:4:4:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(CCO)(H)	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:4:	4:3:1:1:	4:3:3:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2{1|Si<4>,1|O<2>,2|C<4>}	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	107.7640	0.308	2	107.7640	0.095	2	107.7640	0.095	2	107.7640	0.095	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	2:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2C)(O)2	107.2500	0.000	1	107.2500	0.000	1	106.3836	0.430	5	106.3836	0.430	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	2:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2C)(O)2	105.7860	0.000	1	105.7860	0.000	1	106.3836	0.430	5	106.3836	0.430	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	2:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|S<2>,2|C<3>}	N(C[6]C[6]2C)(O)2	106.5825	0.295	2	106.5825	0.087	2	106.3836	0.430	5	106.3836	0.430	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	2:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2C)(O)2	105.7170	0.000	1	105.7170	0.000	1	106.3836	0.430	5	106.3836	0.430	5	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	3:3:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N(C[6]C[6]2C)(O)2	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	3:4:2:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2C)(O)2	105.4985	0.469	2	105.4985	0.220	2	105.4985	0.220	2	105.4985	0.220	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	3:4:3:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2C)(O)2	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2C)(O)2	104.4240	0.000	1	104.4240	0.000	1	104.4240	0.000	1	110.1417	9.631	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6]2C)(O)2	108.6430	0.000	1	108.6430	0.000	1	111.2852	2.231	5	110.1417	9.631	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6]2C)(O)2	111.9458	0.256	4	111.9458	0.066	4	111.2852	2.231	5	110.1417	9.631	6	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2C)(COO)(H)	110.6480	0.000	1	110.6480	0.000	1	109.0427	5.623	3	109.0427	5.623	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CHHO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]HH)2(CHHO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	N(C[6]C[6]2C)(CCO)(H)	108.2400	2.717	2	108.2400	7.380	2	109.0427	5.623	3	109.0427	5.623	3	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:2:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS)	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2{2|H<1>,3|C<4>}	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	105.9830	0.000	1	105.9830	0.000	1	105.9830	0.000	1	105.9830	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:2:2:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(O)2	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:3:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	N(C[6]C[6]2C)(O)2	108.9190	0.000	1	108.9190	0.000	1	108.3755	0.591	2	108.3755	0.591	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:3:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	N(C[6]C[6]2C)(O)2	107.8320	0.000	1	107.8320	0.000	1	108.3755	0.591	2	108.3755	0.591	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:3:2:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	N(C[6]C[6]2C)(O)2	105.8835	1.132	2	105.8835	1.282	2	105.8835	1.282	2	105.8835	1.282	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	N(C[6]C[6]2C)(COO)(H)	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	N(C[6]C[6]2C)(O)2	103.8810	0.000	1	103.8810	0.000	1	107.3339	2.683	9	107.3339	2.683	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	N(C[6]C[6]2C)(O)2	109.0000	0.894	2	109.0000	0.799	2	107.3339	2.683	9	107.3339	2.683	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	N(C[6]C[6]2C)(O)2	105.9700	0.000	1	105.9700	0.000	1	107.3339	2.683	9	107.3339	2.683	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CH3)(NOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	N(C[6]C[6]2C)(O)2	106.8810	0.000	1	106.8810	0.000	1	107.3339	2.683	9	107.3339	2.683	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2C)(O)2	107.8183	0.252	4	107.8183	0.063	4	107.3339	2.683	9	107.3339	2.683	9	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2C)(CCO)(H)	111.6850	0.000	1	111.6850	0.000	1	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){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>}	N(C[6]C[6]2C)(CCO)(H)	108.5060	2.458	2	108.5060	6.041	2	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){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>}	N(C[6]C[6]2C)(CC[6a]O)(H)	108.9880	2.937	2	108.9880	8.628	2	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){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>}	N(C[6]C[6]2C)(COO)(H)	108.9260	1.949	2	108.9260	3.798	2	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	N(C[6]C[6]2C)(CCO)(H)	111.6880	0.000	1	111.6880	0.000	1	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	N(C[6]C[6]2C)(CCO)(H)	106.7920	0.000	1	106.7920	0.000	1	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	109.4415	3.234	2	109.4415	10.456	2	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]O)(H)	108.6025	2.375	2	108.6025	5.641	2	109.1610	4.562	13	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH)	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2	N(C[6]C[6]3)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N(C[6]C[6]3)(CCC)(H)	108.0375	1.971	2	108.0375	3.884	2	108.0375	3.884	2	109.0112	4.344	15	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	105.5400	0.000	1	105.5400	0.000	1	105.5400	0.000	1	105.5400	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2C)(O)2	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CCO)(H)	105.5950	0.000	1	105.5950	0.000	1	105.5950	0.000	1	105.5950	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H){2|C<4>,2|H<1>}	N(C[6]C[6]2C)(O)2	106.9650	0.000	1	106.9650	0.000	1	105.6555	3.430	2	105.6555	3.430	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2C)(O)2	104.3460	0.000	1	104.3460	0.000	1	105.6555	3.430	2	105.6555	3.430	2	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH)	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6]3)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<4>,8|H<1>}	N(C[6]C[6]3)(CCC)(H)	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	110.8868	4.239	2504	110.7897	4.552	2856
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:3:3:3:	4:4:1:1:	4:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH){1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<3>,6|H<1>}	N(C[3x6]C[6,6]3)(H)2	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:3:1:1:	4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)3(NHH)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]N[3x6]HH)3(NHH){3|C<4>}	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N(C[3x6]C[6,6]3)(H)2	111.4553	2.152	3	111.4553	4.631	3	111.4553	4.631	3	111.4553	4.631	3	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	3:4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	110.2467	1.884	3	110.2467	3.551	3	110.2467	3.551	3	110.2467	3.551	3	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:2:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Ge-2:Ge-2:	C[3x6](C[6,6]C[3x6]HH)3(NGe2)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(GeC[6a])2	C[3x6](C[6,6]C[3x6]HH)3(NGe2){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(GeC[6a])2	110.2550	1.456	3	110.2550	2.121	3	110.2550	2.121	3	110.2550	2.121	3	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6]O)(H)	109.8860	3.139	3	109.8860	9.854	3	109.8860	9.854	3	109.8860	9.854	3	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCHH)(H)	107.9455	2.531	2	107.9455	6.405	2	110.1995	9.695	18	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	110.4177	3.319	9	110.4177	11.016	9	110.1995	9.695	18	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	109.9312	2.898	6	109.9312	8.399	6	110.1995	9.695	18	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCHH)(H)	114.3540	0.000	1	114.3540	0.000	1	110.1995	9.695	18	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(C[6]C[6]2C)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(C[6]C[6]2C)(H)	110.7290	2.305	3	110.7290	5.315	3	110.7290	5.315	3	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHP)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(PC[6a]2C[5])(H)	C[3x6](C[6,6]C[3x6]HH)3(NHP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]2C[5])(H)	109.9920	2.742	3	109.9920	7.516	3	109.9920	7.516	3	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHS)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NHS){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	109.0907	2.997	16	109.0907	8.984	16	109.6555	11.073	51	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHS)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NHS){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	110.7646	3.392	8	109.9136	12.101	35	109.6555	11.073	51	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NHS)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NHS){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)(H)	109.6615	3.527	27	109.9136	12.101	35	109.6555	11.073	51	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:S-4:H-1:	C[3x6](C[6,6]C[4x6]HH)3(NHS)	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2	N(C[3x6]C[6,6]3)(SC[6a]NO)(H)	C[3x6](C[6,6]C[4x6]HH)3(NHS){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]NO)(H)	109.9298	3.045	6	109.9298	9.272	6	109.9298	9.272	6	109.8489	9.963	81	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)2(OC)	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)2(OC)	111.2478	4.818	6	111.2478	23.214	6	111.2478	23.214	6	111.2478	23.214	6	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)3(NCC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCHH)2	C[3x6](C[6,6]C[3x6]HH)3(NCC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCHH)2	110.9526	2.228	9	110.9526	4.965	9	110.9526	4.965	9	110.6469	3.562	18	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:S-4:	C[3x6](C[6,6]C[3x6]HH)3(NSS)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SCOO)2	C[3x6](C[6,6]C[3x6]HH)3(NSS){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SCOO)2	110.0423	1.910	3	110.0423	3.647	3	109.9057	1.700	6	110.6469	3.562	18	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:S-4:	C[3x6](C[6,6]C[3x6]HH)3(NSS)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)2	C[3x6](C[6,6]C[3x6]HH)3(NSS){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)2	109.7690	0.739	3	109.7690	0.546	3	109.9057	1.700	6	110.6469	3.562	18	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:3:	4:4:1:1:	4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si[4]-4:Si-4:	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]Si)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]Si){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	111.2123	1.902	3	111.2123	3.619	3	111.2123	3.619	3	110.6469	3.562	18	110.1025	8.874	118	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(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]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)2	113.9990	0.000	1	113.8194	0.440	5	113.8158	0.352	6	113.8158	0.352	6	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(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]HN)(H){1|C<4>,1|N<4>,3|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)2	113.7745	0.757	4	113.8194	0.440	5	113.8158	0.352	6	113.8158	0.352	6	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	3:3:4:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(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]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)2	113.7980	0.000	1	113.7980	0.000	1	113.8158	0.352	6	113.8158	0.352	6	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	3:3:4:1:	4:4:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:S-4:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(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]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	N(C[6,6]C[3x6]2H)(CH3)2	113.5080	2.963	2	113.9320	4.928	3	113.3655	5.238	6	113.3655	5.238	6	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	N(C[6,6]C[3x6]2H)(CH3)2	114.7800	0.000	1	113.9320	4.928	3	113.3655	5.238	6	113.3655	5.238	6	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	N(C[6,6]C[3x6]2H)(CH3)2	114.2010	1.616	2	112.7990	7.203	3	113.3655	5.238	6	113.3655	5.238	6	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	N(C[6,6]C[3x6]2H)(CH3)2	109.9950	0.000	1	112.7990	7.203	3	113.3655	5.238	6	113.3655	5.238	6	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H){1|O<1>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	114.3140	0.296	2	114.3140	0.087	2	114.3140	0.087	2	114.3140	0.087	2	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	3:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6a]-3:C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	111.3780	0.670	2	111.3780	0.449	2	111.3780	0.449	2	111.3780	0.449	2	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:3:2:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:C-2:	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	111.2185	1.261	4	111.2185	1.589	4	111.2185	1.589	4	111.2185	1.589	4	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2H)(CCHH)(H)	113.0075	3.130	2	113.0075	9.799	2	113.0075	9.799	2	113.0075	9.799	2	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:1:	4:4:4:4:	4:3:1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H){1|O<1>,4|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2{1|C<3>,2|C<4>,9|H<1>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	113.5395	0.159	2	113.5395	0.025	2	113.5395	0.025	2	113.5395	0.025	2	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:3:2:	3:4:3:1:	4:4:4:	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:C-4:C-4:	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)	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	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>}	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.9242	2.914	26	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:2:2:3:	4:4:1:1:	4:1:1:	C[6,6]-4:O[6]-2:O[6]-2:N-3:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	N(C[6,6]C[6,6]O[6]2)(H)2	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH){3|C<4>,4|H<1>}	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	N(C[6,6]C[6,6]O[6]2)(H)2	109.8527	0.219	3	109.8527	0.048	3	109.8527	0.048	3	109.8527	0.048	3	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:3:4:3:	4:4:4:2:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:N-3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH)	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH)	N(C[6,6]C[6,6]C[6]2)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	N(C[6,6]C[6,6]C[6]2)(CH3)(H)	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:2:3:	4:4:4:1:	4:4:4:	C[6,6]-4:C[6]-4:O[6]-2:N-3:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)2	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H){1|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)2	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:S-4:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)2	110.8130	0.989	4	110.8130	0.978	4	110.8130	0.978	4	110.8130	0.978	4	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:3:2:	4:4:1:1:	4:4:4:	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:C-4:C-4:	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	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	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>}	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:4:3:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	110.7386	1.495	14	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6]	N	2:4:4:3:	4:4:1:1:	4:1:1:	O[6,6]-2:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:H-1:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2	N(C[6,6]O[6,6]C[6]2)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2{2|C<4>,2|H<1>,2|O<2>}	N(C[6,6]O[6,6]C[6]2)(H)2	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	111.1060	0.000	1	108.1058	1.941	13	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6]	N	2:4:4:3:	4:4:2:1:	4:1:1:	O[6,6]-2:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	N(C[6,6]O[6,6]C[6]2)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	N(C[6,6]O[6,6]C[6]2)(H)2	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	108.1058	1.941	13	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6]	N	3:3:4:3:	4:3:1:1:	4:1:1:	C[6,6a]-3:C[6,6]-3:C[6]-4:N-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2	N(C[6,6]C[6,6a]C[6,6]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	N(C[6,6]C[6,6a]C[6,6]C[6])(H)2	107.6589	0.444	8	107.6589	0.197	8	107.6589	0.197	8	107.6589	0.197	8	108.1058	1.941	13	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6]	N	4:3:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2	N(C[6,6]C[6,6]C[6]2)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|O<2>}	N(C[6,6]C[6,6]C[6]2)(CH3)(H)	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	108.1058	1.941	13	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6]	N	4:4:2:3:	4:4:1:1:	4:4:4:	C[6,6]-4:C[6]-4:O[6]-2:N-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC)	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	108.1058	1.941	13	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6,6]	C[6]	N	4:4:4:3:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	108.1058	1.941	13	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6,6]	N	3:4:3:1:	4:3:4:1:	4:4:4:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	N(C[6]C[5a,6]C[6,6]H)(CH3)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N(C[6]C[5a,6]C[6,6]H)(CH3)2	114.4110	0.000	1	114.4110	0.000	1	114.4110	0.000	1	114.4110	0.000	1	113.9985	2.989	6	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6,6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	115.4320	0.000	1	115.4320	0.000	1	115.4320	0.000	1	115.4320	0.000	1	113.9985	2.989	6	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6,6]	N	4:3:3:1:	3:4:4:1:	4:4:1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	112.8920	0.000	1	112.8920	0.000	1	112.8920	0.000	1	112.8920	0.000	1	113.9985	2.989	6	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6,6]	N	4:3:3:1:	4:4:4:1:	4:4:4:	C[6,6]-4:C[6]-3:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,3|C<4>,5|H<1>}	N(C[6]C[6,6]C[6]H)(CH3)2	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	113.9985	2.989	6	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	N(C[6]C[6,6]C[6]H)(H)2	116.4900	0.000	1	116.4900	0.000	1	116.4900	0.000	1	116.4900	0.000	1	113.9985	2.989	6	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6,6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	113.9985	2.989	6	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	2:4:3:1:	3:4:1:1:	4:4:4:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:F-1:F-1:	C[6]-4:C-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2	N(C[6]C[6]O[6]H)(CH3)2	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2{2|C<3>}	N(C[6]C[6]O[6]H)(CH3)2	116.2960	0.000	1	116.2960	0.000	1	116.2960	0.000	1	116.2960	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	2:4:3:1:	4:4:1:1:	4:4:1:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2{2|C<3>}	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	2:4:3:3:	4:4:4:1:	4:4:4:	O[6]-2:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C)	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H)	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	2:4:4:3:	4:4:1:1:	4:4:1:	O[6]-2:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2{2|C<3>}	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	3:4:1:1:	4:4:1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	113.8955	0.234	4	113.8955	0.055	4	113.8955	0.055	4	113.8955	0.055	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:1:1:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	108.9310	0.027	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:1:1:	4:4:1:	N[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.9310	0.027	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:3:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	N(C[6]C[6,6a]C[6]H)(SCOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(SCOO)(H)	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5a]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	N(N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:3:4:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H){2|C<3>}	N(C[6]C[6,6a]C[6]H)(NCH)(H)	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:1:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2	N(C[6]C[6,6a]C[6]H)(H)2	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>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2{4|C<3>}	N(C[6]C[6,6a]C[6]H)(H)2	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2{1|C<4>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	112.2516	1.420	9	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2{2|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	112.7095	0.059	4	112.7095	0.004	4	112.7095	0.004	4	112.2516	1.420	9	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CNO)(H)	112.4710	0.000	1	112.4710	0.000	1	110.9560	4.590	2	112.2516	1.420	9	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2{2|C<3>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	109.4410	0.000	1	109.4410	0.000	1	110.9560	4.590	2	112.2516	1.420	9	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2{1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	112.2516	1.420	9	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(SC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2{2|C<3>}	N(C[6]C[6,6a]C[6]H)(SC[6a]O)(H)	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	112.2516	1.420	9	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:2:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	109.1290	18.544	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:3:2:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	N(C[6]C[6]2H)(COO)(OH)	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	109.1290	18.544	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	114.1810	0.000	1	114.1810	0.000	1	114.1810	0.000	1	111.3109	6.445	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[5]HH)(H)	115.8230	0.000	1	115.8230	0.000	1	112.9770	16.199	2	111.3109	6.445	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	110.1310	0.000	1	110.1310	0.000	1	112.9770	16.199	2	111.3109	6.445	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	111.6630	0.000	1	111.6630	0.000	1	110.9333	0.593	3	111.3109	6.445	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2{2|C<3>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	110.5685	0.623	2	110.5685	0.388	2	110.9333	0.593	3	111.3109	6.445	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H){1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.7760	0.815	2	108.7760	0.664	2	108.7760	0.664	2	111.3109	6.445	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	114.5427	1.417	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	115.6790	0.000	1	115.6790	0.000	1	115.6790	0.000	1	114.5427	1.417	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:4:	C[6]-3:C[6]-4:N-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[6,6]C)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>}	N(C[6]C[6]2H)(CH3)2	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	114.5427	1.417	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:1:1:	4:4:4:	N[5a,6]-3:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2	N(C[6]N[5a,6]C[6]H)(CH3)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6]N[5a,6]C[6]H)(CH3)2	114.9890	0.000	1	114.9890	0.000	1	114.9890	0.000	1	114.5427	1.417	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:2:1:	4:4:1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]N[5,6]C[6]H)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6]N[5,6]C[6]H)(CCHH)(H)	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:3:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H){1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:3:1:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	N(C[6]C[5a,6]C[6]H)(SCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	N(C[6]C[5a,6]C[6]H)(SCO)(H)	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	112.1658	4.184	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H){2|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	112.1658	4.184	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	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[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	112.9620	2.393	2	112.9620	5.726	2	111.9197	6.122	3	112.1658	4.184	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	109.8350	0.000	1	109.8350	0.000	1	111.9197	6.122	3	112.1658	4.184	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	N(C[6]N[5,6]C[6]H)(COO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H){4|C<3>}	N(C[6]N[5,6]C[6]H)(COO)(H)	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	112.1658	4.184	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:1:	4:4:4:3:	4:4:3:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:S-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(H)2	106.9625	0.013	2	107.3477	0.277	6	107.6269	0.462	10	107.6269	0.462	10	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6]C[6a]C[6]2)(H)2	107.5403	0.559	4	107.3477	0.277	6	107.6269	0.462	10	107.6269	0.462	10	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	N(C[6]C[6a]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(H)2	108.0457	0.731	4	108.0457	0.534	4	107.6269	0.462	10	107.6269	0.462	10	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	111.5050	0.253	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	111.5050	0.253	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:3:	4:4:1:1:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(CH3)(H)	107.0455	0.275	2	107.0455	0.076	2	107.0455	0.076	2	107.0455	0.076	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:3:	4:4:1:1:	4:3:1:	C[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN)	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[5a]C[6]2)(NCH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N(C[6]C[5a]C[6]2)(NCH)(H)	110.9250	3.363	4	110.9250	11.311	4	110.9250	11.311	4	110.8816	8.493	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:3:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]C)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]C)(SCO)(H)	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	110.8816	8.493	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:3:	4:4:1:1:	4:4:1:	C[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H)	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	112.0815	4.420	2	112.0815	19.538	2	112.0815	19.538	2	112.0815	19.538	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:2:3:1:	3:4:4:4:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2	N(C[6]C[6]O[6]H)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2{2|C<3>}	N(C[6]C[6]O[6]H)(CCHH)(H)	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:1:1:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(H)2	112.8480	0.920	3	112.8480	0.846	3	112.8480	0.846	3	112.8480	0.846	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:1:1:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	112.1060	1.088	3	112.1060	1.185	3	112.1060	1.185	3	112.1060	1.185	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:2:1:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(H)2	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:2:3:1:	4:4:3:1:	4:4:2:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:O-2:	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	N(C[6]C[6]O[6]H)(CCHH)(OC)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCHH)(OC)	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	3:4:1:1:	4:4:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:Cl-1:Cl-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2{1|H<1>,1|S<3>,1|S<4>,2|C<3>}	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	3:4:2:1:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	112.6275	0.903	2	112.6275	0.815	2	112.6275	0.815	2	112.6275	0.815	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	3:4:3:1:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	3:4:4:1:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H)	N(C[6]C[6]2H)(CH3)2	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>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H){2|H<1>,4|C<3>}	N(C[6]C[6]2H)(CH3)2	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:3:2:	C[6]-4:N[6]-3:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	117.1160	0.000	1	117.1160	0.000	1	117.2610	0.098	3	113.2159	15.279	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	117.3335	0.405	2	117.3335	0.164	2	117.2610	0.098	3	113.2159	15.279	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.2970	0.000	1	111.2970	0.000	1	111.3595	0.008	2	113.2159	15.279	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.4220	0.000	1	111.4220	0.000	1	111.3595	0.008	2	113.2159	15.279	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2	N(C[6]C[6]N[6]H)(SO3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	N(C[6]C[6]N[6]H)(SO3)(H)	109.0045	0.135	2	109.0045	0.018	2	109.0045	0.018	2	113.2159	15.279	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-3:N-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]C[6]N)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CH3)2	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(H)2	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	116.7480	0.000	1	116.7480	0.000	1	114.6685	8.649	2	114.6685	8.649	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	112.5890	0.000	1	112.5890	0.000	1	114.6685	8.649	2	114.6685	8.649	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H){2|C<3>}	N(C[6]C[6]2H)(CH3)2	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:3:3:	4:3:3:3:	4:4:4:	C[6]-4:C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-3:N-3:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC)	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC)	N(C[6]C[6]3)(CH3)2	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC){1|N<3>,2|C<3>,4|H<1>}	N(C[6]C[6]3)(CH3)2	107.5200	0.025	2	107.5200	0.001	2	107.5200	0.001	2	107.5200	0.001	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	N(C[6]C[6]2C)(H)2	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	N(C[6]C[6]2C)(COO)(H)	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	108.8700	5.924	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:3:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2C)(SCO)(H)	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	108.8700	5.924	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:3:3:4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H){1|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]HN){1|N<3>,6|C<3>,7|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{4|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(C[6]C[6]2H)(H)2	112.1798	1.242	5	112.1798	1.544	5	112.1798	1.544	5	112.1798	1.544	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CH3)(H)	109.1900	0.021	2	109.1900	0.000	2	109.1900	0.000	2	110.3205	2.355	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.3205	2.355	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	110.3205	2.355	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	113.2256	5.581	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	N(C[6]C[6]2H)(CCCH)2	110.5580	0.000	1	110.5580	0.000	1	112.5480	5.614	3	113.2256	5.581	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	N(C[6]C[6]2H)(CH3)2	113.5430	2.300	2	113.5430	5.288	2	112.5480	5.614	3	113.2256	5.581	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	116.1980	0.000	1	116.1980	0.000	1	116.1980	0.000	1	113.2256	5.581	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6]2H)(CC3)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N(C[6]C[6]2H)(CC3)(CH3)	112.1370	0.000	1	112.1370	0.000	1	113.0323	0.940	3	113.0323	0.940	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	112.8980	0.000	1	112.8980	0.000	1	113.0323	0.940	3	113.0323	0.940	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	114.0620	0.000	1	114.0620	0.000	1	113.0323	0.940	3	113.0323	0.940	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	N(C[6]C[6]2H)(CH3)(H)	108.3010	0.188	2	108.3010	0.035	2	108.3010	0.035	2	108.3010	0.035	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N(C[6]C[6]2H)(CC[5a]HH)(H)	107.3250	0.000	1	107.3250	0.000	1	107.8160	0.181	3	107.8160	0.181	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	108.0615	0.011	2	108.0615	0.000	2	107.8160	0.181	3	107.8160	0.181	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N(C[6]C[6]2H)(CH3)2	110.6615	0.751	4	110.6615	0.564	4	110.6615	0.564	4	110.6615	0.564	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:2:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:S-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6]2H)(SCO)(H)	110.0725	0.558	2	110.0725	0.311	2	110.0725	0.311	2	110.0725	0.311	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	3:4:4:2:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:N-4:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	N(C[6]C[6]2H)(NCCH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6]2H)(NCCH)(H)	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(S[6]S[6])(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	C[6](C[6]C[6]HN)(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.7620	0.533	2	108.7620	0.284	2	108.7620	0.284	2	108.7620	0.284	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CC3)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6]2H)(CC3)(CH3)	117.7490	0.000	1	117.7490	0.000	1	117.2110	0.227	3	117.2110	0.227	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	117.0430	0.000	1	117.0430	0.000	1	117.2110	0.227	3	117.2110	0.227	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	116.8410	0.000	1	116.8410	0.000	1	117.2110	0.227	3	117.2110	0.227	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(H)2	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	108.5340	0.000	1	108.5340	0.000	1	110.0645	4.685	2	110.8094	2.346	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	111.5950	0.000	1	111.5950	0.000	1	110.0645	4.685	2	110.8094	2.346	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.7320	1.327	2	111.7320	1.760	2	111.3060	1.424	3	110.8094	2.346	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SCOO)(H)	110.4540	0.000	1	110.4540	0.000	1	111.3060	1.424	3	110.8094	2.346	5	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	114.4813	3.893	3	114.4813	15.153	3	114.4813	15.153	3	114.4813	15.153	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:2:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	N(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(OC)(H)	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	112.9400	0.000	1	112.9400	0.000	1	112.9400	0.000	1	111.8605	2.331	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	111.8605	2.331	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:2:4:4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	N(C[6]C[6,6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[6]C[6,6]C[6]H)(H)2	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	111.4763	4.875	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	112.7495	0.155	2	112.7495	0.024	2	112.7495	0.024	2	111.4763	4.875	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:N-2:	C[6](C[6]C[6]HH)2(NCN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2	N(C[6]C[6]2H)(CH3)(NC)	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(NC)	111.4710	1.237	2	111.4710	1.531	2	111.4710	1.531	2	111.4710	1.531	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HI)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|I<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	113.6500	0.000	1	113.6500	0.000	1	113.6500	0.000	1	113.6500	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:3:2:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	111.2750	0.638	2	111.2750	0.407	2	111.2750	0.407	2	111.2750	0.407	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	110.0455	3.208	2	110.0455	10.292	2	110.0455	10.292	2	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	112.8835	0.474	2	112.8835	0.225	2	111.2545	3.363	8	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]C[5a,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]C[5a,5a]C[5a])(C[6]C[6]2H)(H)	111.1870	1.922	2	111.1870	3.694	2	111.2545	3.363	8	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2H)(H)	110.0880	3.215	2	110.0880	10.333	2	111.2545	3.363	8	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	110.8595	0.968	2	110.8595	0.937	2	111.2545	3.363	8	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	109.2460	0.000	1	109.2460	0.000	1	110.7980	3.021	13	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	114.7010	0.000	1	114.7010	0.000	1	110.7980	3.021	13	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	111.0663	1.050	3	111.0663	1.103	3	110.7980	3.021	13	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	110.6980	0.044	2	110.6980	0.002	2	110.7980	3.021	13	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	109.4540	0.017	2	109.4540	0.000	2	110.7980	3.021	13	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	110.3693	2.342	3	110.3693	5.485	3	110.7980	3.021	13	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	111.8160	0.000	1	111.8160	0.000	1	110.7980	3.021	13	110.8913	3.304	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(SC[6a]OO)	111.6995	2.596	2	111.6995	6.738	2	111.6995	6.738	2	111.9457	1.558	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	112.1035	0.888	4	112.1035	0.789	4	112.1035	0.789	4	111.9457	1.558	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	111.9457	1.558	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(H)2	109.8504	1.534	8	110.5765	5.290	11	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(H)2	112.5127	3.238	3	110.5765	5.290	11	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	N(C[6]C[6]2H)(H)2	110.5416	0.357	5	110.5416	0.128	5	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	110.2720	0.000	1	110.2720	0.000	1	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	109.5290	0.000	1	111.1091	3.185	12	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(H)2	109.8400	0.023	2	111.1091	3.185	12	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(H)2	111.1542	1.206	6	111.1091	3.185	12	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(H)2	111.8355	3.904	2	111.1091	3.185	12	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	113.5040	0.000	1	111.1091	3.185	12	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(H)2	111.7900	3.965	2	111.0692	7.015	4	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	110.3485	1.801	2	111.0692	7.015	4	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(H)2	110.0273	0.325	4	110.0273	0.106	4	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	109.2800	0.000	1	109.2800	0.000	1	110.6920	3.153	38	110.6920	3.153	38	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[5,6]C[6]H)(OC)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	N(C[6]C[5,6]C[6]H)(OC)(H)	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCN)(H)	110.6820	0.000	1	110.6820	0.000	1	110.4352	2.298	15	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]O)(H)	110.6070	0.291	2	110.6070	0.085	2	110.4352	2.298	15	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNN)(H)	110.4123	1.559	8	110.4123	2.430	8	110.4352	2.298	15	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]O)(H)	109.7890	2.752	2	109.7890	7.574	2	110.4352	2.298	15	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)(H)	110.8780	2.479	2	110.8780	6.146	2	110.4352	2.298	15	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(NCH)(H)	109.2200	2.117	2	109.2200	4.482	2	109.9670	6.142	4	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)2(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NNO)(H)	C[6](C[6]C[6]HH)2(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NNO)(H)	110.7140	3.422	2	110.7140	11.713	2	109.9670	6.142	4	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SCO)(H)	113.2380	0.000	1	113.2380	0.000	1	113.0820	0.145	3	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(SCO)(H)	113.0040	0.503	2	113.0040	0.253	2	113.0820	0.145	3	110.8031	3.427	23	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	N(C[6]C[6]2H)(CC[6a]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]O)(OC)	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:P-3:	C[6](C[6]C[6]HH)2(NPP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]N)2	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]N)2	112.7465	0.442	2	112.7465	0.195	2	112.7465	0.195	2	112.2870	0.428	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[4]-3:P-3:	C[6](C[6]C[6]HH)2(NP[4]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	C[6](C[6]C[6]HH)2(NP[4]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	111.8275	0.493	2	111.8275	0.243	2	111.8275	0.243	2	112.2870	0.428	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]N)(CH3)	113.2685	1.549	2	113.2685	2.400	2	113.2685	2.400	2	113.2685	2.400	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[3,6]C[6]H)(SO3)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N(C[6]C[3,6]C[6]H)(SO3)(H)	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|S<2>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	113.5410	0.000	1	113.5410	0.000	1	111.3600	3.120	6	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	110.1120	0.167	2	110.1120	0.028	2	111.3600	3.120	6	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	109.3610	0.000	1	110.5805	2.974	2	111.3600	3.120	6	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,3|C<4>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	111.8000	0.000	1	110.5805	2.974	2	111.3600	3.120	6	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	113.2340	0.000	1	113.2340	0.000	1	111.3600	3.120	6	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(H)	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-4:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	112.5445	6.404	2	112.5445	41.015	2	112.0192	21.782	4	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5]2H)(C[6]C[6]2H)(H)	111.4940	4.820	2	111.4940	23.229	2	112.0192	21.782	4	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	N(C[6]C[6]2H)(CH3)(H)	111.6520	2.305	3	111.6520	5.312	3	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6]2H)(CH3)(H)	110.5910	0.000	1	110.5910	0.000	1	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	116.5430	0.000	1	116.5430	0.000	1	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	113.3903	1.813	3	113.9333	2.859	6	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	114.4763	1.725	3	113.9333	2.859	6	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	112.4286	2.382	5	112.1482	5.009	6	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	110.7460	0.000	1	112.1482	5.009	6	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[5]HH)(H)	111.7655	3.686	2	111.7655	13.588	2	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	112.2319	1.922	14	112.3643	3.693	15	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	114.2170	0.000	1	112.3643	3.693	15	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CH3)(H)	112.5735	2.904	2	112.5735	8.434	2	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCHH)(H)	110.7230	0.000	1	110.7230	0.000	1	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	114.0980	0.000	1	114.0980	0.000	1	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	110.1910	0.881	2	110.1910	0.776	2	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	111.3665	4.340	2	111.3665	18.831	2	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CEuNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CEuNN)(H)	111.1980	2.021	2	111.1980	4.084	2	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNNY)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNNY)(H)	110.7100	1.937	2	110.7100	3.754	2	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CYbNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CYbNN)(H)	110.3872	0.913	4	110.3872	0.833	4	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	109.6733	1.103	6	109.6733	1.217	6	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	108.5010	0.000	1	108.5010	0.000	1	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	110.6600	0.000	1	110.6600	0.000	1	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[5a]HH)(H)	115.6020	0.000	1	115.6020	0.000	1	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	114.8715	0.359	2	114.8715	0.129	2	111.9437	5.206	61	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)2(H)	111.2220	0.000	1	111.2220	0.000	1	110.1782	3.351	14	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)2(H)	110.4730	0.000	1	110.4730	0.000	1	110.1782	3.351	14	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(H)	110.0667	1.959	12	110.0667	3.839	12	110.1782	3.351	14	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NCCH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NCCH)(H)	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(PC[6a]2N)(H)	111.3060	0.000	1	111.3060	0.000	1	111.2351	3.377	41	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]OO)(H)	110.7930	0.853	2	110.7930	0.727	2	111.2351	3.377	41	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNNO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNO)(H)	111.3757	1.923	32	111.3757	3.699	32	111.2351	3.377	41	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNNS)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNS)(H)	110.8280	2.575	2	110.8280	6.632	2	111.2351	3.377	41	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNOO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNOO)(H)	111.0505	2.782	2	111.0505	7.742	2	111.2351	3.377	41	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PO3)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(PO3)(H)	109.9830	0.857	2	109.9830	0.734	2	111.2351	3.377	41	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	110.8411	1.494	33	110.8411	2.233	33	110.8411	2.233	33	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.8040	0.000	1	110.8040	0.000	1	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.6270	0.000	1	109.6270	0.000	1	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|F<1>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.6020	0.000	1	111.6020	0.000	1	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<4>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.6840	1.136	2	111.6840	1.290	2	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.2994	1.918	5	110.2994	3.679	5	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.9215	3.649	2	109.9215	13.318	2	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.9707	2.493	4	110.9707	6.214	4	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.8462	2.156	4	111.1016	5.956	12	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.7293	2.625	8	111.1016	5.956	12	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SO3)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SO3)(H)	110.2505	2.758	4	110.2505	7.606	4	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.9040	1.832	4	109.9040	3.355	4	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	112.3760	0.000	1	112.3760	0.000	1	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.8360	0.000	1	111.8360	0.000	1	110.7546	4.374	38	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(P[6]C[6,6]O[6]O)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(P[6]C[6,6]O[6]O)(C[6]C[6]2H)(H)	110.5420	2.490	2	110.5420	6.202	2	110.5420	6.202	2	111.2086	4.541	207	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-2:	C[6](C[6]C[6]HH)2(NCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(NC)	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	N(C[6]C[6]2H)(CH3)(NC)	112.6865	0.933	2	112.6865	0.870	2	112.6865	0.870	2	112.6865	0.870	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(CPtN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(CPtN)	111.9800	0.614	2	111.9800	0.377	2	111.9800	0.377	2	112.0706	2.073	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	112.9150	0.600	2	112.9150	0.360	2	112.9150	0.360	2	112.0706	2.073	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	111.7780	0.000	1	111.7780	0.000	1	111.5680	4.751	3	112.0706	2.073	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	111.4630	3.072	2	111.4630	9.435	2	111.5680	4.751	3	112.0706	2.073	7	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	117.3920	0.000	1	117.3920	0.000	1	117.3920	0.000	1	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N(C[6]C[6]2H)(CH3)2	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	N(C[6]C[6]2H)(CCHH)(CH3)	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6,6]HH)2(NC[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)2(NC[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	113.5460	4.103	2	113.5460	16.832	2	113.5460	16.832	2	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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[6,6]CC)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	N(C[6]C[6]2H)(CH3)2	116.0150	0.000	1	116.0150	0.000	1	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCCH)2	116.8230	0.000	1	116.8230	0.000	1	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CH3)2	112.1590	1.083	2	112.1590	1.174	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]CO)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	116.6440	0.000	1	116.6440	0.000	1	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCHH)2	114.5107	0.983	3	115.0350	1.744	4	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CCHH)2	116.6080	0.000	1	115.0350	1.744	4	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	116.3260	0.000	1	116.3260	0.000	1	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	114.4900	0.000	1	114.4900	0.000	1	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	115.1943	0.206	3	115.0987	0.065	4	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	114.8120	0.000	1	115.0987	0.065	4	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	114.5535	0.016	2	114.5535	0.000	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	115.5440	0.000	1	116.1975	0.854	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	116.8510	0.000	1	116.1975	0.854	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	114.9665	0.731	6	115.6227	1.858	8	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	117.5915	0.022	2	115.6227	1.858	8	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CH3)2	114.6695	0.069	2	115.8524	1.481	12	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CH3)2	116.0890	1.198	10	115.8524	1.481	12	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCHH)2	114.8930	0.000	1	114.8930	0.000	1	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	113.9352	4.133	4	113.9352	17.084	4	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	117.2300	0.000	2	115.4133	4.087	6	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	114.5050	1.874	4	115.4133	4.087	6	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	115.8357	2.778	6	115.9128	5.534	8	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	116.1440	0.023	2	115.9128	5.534	8	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CH3)2	115.9158	3.224	4	115.9158	10.397	4	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2	114.3325	1.477	2	114.3325	2.182	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	112.8910	2.830	2	112.8910	8.008	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	113.6350	2.211	8	113.6350	4.888	8	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	113.9430	2.425	2	112.9762	4.387	20	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	112.8508	2.195	14	112.9762	4.387	20	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	112.9315	2.062	4	112.9762	4.387	20	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CHHP)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CHHP)(CH3)	113.2755	2.864	2	113.2755	8.205	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CHHS)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CHHS)2	112.8768	1.894	4	112.8768	3.587	4	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CC[5]HH)(CH3)	109.9765	0.013	2	109.9765	0.000	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CH3)2	109.9390	0.884	2	109.9390	0.781	2	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]N[5]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	114.9840	0.000	1	114.9840	0.000	1	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CH3)2	116.7812	0.485	4	116.1974	0.891	7	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CH3)2	115.6185	1.105	2	116.1974	0.891	7	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-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]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CH3)2	115.0200	0.000	1	116.1974	0.891	7	114.5111	5.430	112	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	111.7230	0.000	1	111.7230	0.000	1	112.0210	2.519	3	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	112.1700	2.215	2	112.1700	4.905	2	112.0210	2.519	3	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:Si-4:	C[6](C[6]C[6]HH)2(NSiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CZrCN)(SiC3)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CZrCN)(SiC3)	114.4005	1.941	2	114.4005	3.768	2	114.4005	3.768	2	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)2(CCHH)	111.9890	2.657	2	111.9890	7.061	2	113.8082	6.660	30	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CC3)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CC3)	114.6252	3.167	4	114.6252	10.033	4	113.8082	6.660	30	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CCCH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CCCH)	113.5260	2.569	8	113.5260	6.598	8	113.8082	6.660	30	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CCHO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CCHO)	113.7665	2.910	4	113.7665	8.467	4	113.8082	6.660	30	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CC[6a]HH)	113.6224	3.021	8	113.6224	9.124	8	113.8082	6.660	30	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CSnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CSnNN)	114.8787	1.382	4	114.8787	1.911	4	113.8082	6.660	30	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(PHNN)	113.2918	1.292	4	113.2918	1.670	4	113.2918	1.670	4	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNO)(CH3)	112.6796	1.151	23	112.6796	1.324	23	112.5804	1.333	25	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNOO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNOO)(CH3)	111.4400	0.160	2	111.4400	0.026	2	112.5804	1.333	25	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C[6](C[6]C[6]HH)2(NP[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C[6](C[6]C[6]HH)2(NP[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	112.4870	1.650	2	112.4870	2.724	2	112.4870	2.724	2	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	113.4133	0.986	4	113.4133	0.972	4	113.1160	2.536	10	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	115.3150	0.000	1	115.3150	0.000	1	113.1160	2.536	10	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	112.8590	0.000	1	112.8590	0.000	1	113.1160	2.536	10	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	112.4975	2.459	2	112.4975	6.045	2	113.1160	2.536	10	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	112.1690	2.459	2	112.1690	6.048	2	113.1160	2.536	10	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)2	112.8690	0.686	2	112.8690	0.470	2	112.8690	0.470	2	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:S-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	N(C[6]C[6]2H)(SC[6a]OO)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)2	115.3105	1.173	2	115.3105	1.376	2	115.3105	1.376	2	113.9559	5.242	198	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	5:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[5,6]-5:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[5,6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[5,6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	110.6005	2.866	2	110.6005	8.213	2	110.6005	8.213	2	110.1840	3.038	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	5:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-5:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(P[6]N[6]2SbN)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(P[6]N[6]2SbN)(C[6]C[6]2H)(H)	109.7675	0.456	2	109.7675	0.208	2	109.7675	0.208	2	110.1840	3.038	4	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:1:1:	5:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Nb[3]-5:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(Nb[3]C[3,6]N[3]HN)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(Nb[3]C[3,6]N[3]HN)(C[6]C[6]2H)2	112.5602	1.077	8	112.5602	1.161	8	112.5602	1.161	8	112.5602	1.161	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)2	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	111.5693	5.657	15	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)2(NHH)(H)	C[6](C[6]C[6]HN)2(OH)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)2	111.3166	2.409	8	111.3149	5.047	14	111.3149	5.047	14	111.5693	5.657	15	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)2(NHH)(H)	C[6](C[6]C[6]HN)2(OH)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)2	111.3127	2.235	6	111.3149	5.047	14	111.3149	5.047	14	111.5693	5.657	15	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(OC)(H)	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.4815	0.869	2	109.4815	0.755	2	109.4815	0.755	2	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	N(C[6]C[6]2H)(PC[6a]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2N)(H)	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	108.2330	0.000	1	108.2330	0.000	1	111.4278	9.864	9	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	108.3740	0.000	1	108.3740	0.000	1	111.4278	9.864	9	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	109.4950	0.000	1	109.4950	0.000	1	111.4278	9.864	9	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	111.9495	3.847	2	111.9495	14.802	2	111.4278	9.864	9	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	112.2490	4.154	2	112.2490	17.252	2	111.4278	9.864	9	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[5a]HH)(H)	115.9920	0.000	1	115.9920	0.000	1	111.4278	9.864	9	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[5a]HH)(H)	112.3590	0.000	1	112.3590	0.000	1	111.4278	9.864	9	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(H)	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	111.3840	0.000	1	111.3840	0.000	1	110.3485	4.720	4	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.5470	0.079	2	108.5470	0.006	2	110.3485	4.720	4	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(SCOO)(H)	112.9160	0.000	1	112.9160	0.000	1	110.3485	4.720	4	110.7284	5.860	19	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	111.1510	0.438	2	111.1510	0.192	2	111.1510	0.192	2	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]HH)2	111.5693	5.285	3	111.5693	27.927	3	111.5693	27.927	3	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2	112.7065	0.979	2	112.7065	0.959	2	112.7065	0.959	2	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CH3)2	116.7620	0.000	1	116.7620	0.000	1	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	109.7030	0.000	1	109.7030	0.000	1	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	108.5250	0.000	2	108.5250	0.000	2	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	111.5673	4.179	6	111.5673	17.467	6	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	115.0300	2.219	4	115.0300	4.923	4	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2	111.9920	0.000	1	111.9920	0.000	1	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	111.5667	3.639	4	111.5667	13.245	4	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	110.0385	0.412	2	110.0385	0.170	2	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CH3)2	116.7950	0.000	1	116.7950	0.000	1	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CH3)2	109.1503	1.083	3	109.1503	1.173	3	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	112.0810	4.015	2	112.0810	16.120	2	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	116.1830	2.288	2	116.1830	5.236	2	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	111.4340	2.005	2	111.4340	4.021	2	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	115.1430	2.960	2	115.1430	8.761	2	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)2	114.8850	3.786	2	114.8850	14.333	2	112.4307	11.886	35	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	112.3210	10.865	44	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:2:	4:3:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2	N(C[6]C[6]2H)(CC[6a]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2{1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)(OC)	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:2:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:2:2:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	N(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCHH)(CH3)	116.9850	0.000	1	116.9850	0.000	1	116.9850	0.000	1	116.9850	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	108.4780	0.287	2	108.4780	0.082	2	108.4780	0.082	2	108.4780	0.082	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	110.4080	0.000	1	110.4080	0.000	1	111.0339	3.034	8	111.0339	3.034	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	110.7078	1.646	6	110.7078	2.709	6	111.0339	3.034	8	111.0339	3.034	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	113.6160	0.000	1	113.6160	0.000	1	111.0339	3.034	8	111.0339	3.034	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)(H)	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	110.8015	0.062	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	110.8015	0.062	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-4:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	109.5840	0.000	1	109.5840	0.000	1	111.7193	3.420	3	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)2(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	112.7870	0.000	2	112.7870	0.000	2	111.7193	3.420	3	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	109.4195	2.138	2	109.4195	4.569	2	109.3306	0.656	26	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	110.0060	0.000	1	110.0060	0.000	1	109.3306	0.656	26	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	108.9302	0.604	5	108.9302	0.365	5	109.3306	0.656	26	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]HH)(H)	109.3045	0.209	2	109.3045	0.044	2	109.3306	0.656	26	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	109.4187	0.829	14	109.4187	0.688	14	109.3306	0.656	26	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(H)	109.3145	0.029	2	109.3145	0.001	2	109.3306	0.656	26	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(H)	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	106.8590	0.000	1	106.8590	0.000	1	109.6684	3.725	8	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.0078	1.887	4	110.0078	3.560	4	109.6684	3.725	8	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.9825	1.484	2	110.9825	2.203	2	109.6684	3.725	8	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.4920	0.000	1	108.4920	0.000	1	109.6684	3.725	8	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	112.5900	0.000	1	112.5900	0.000	1	110.9995	5.059	2	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	109.4090	0.000	1	109.4090	0.000	1	110.9995	5.059	2	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	109.5636	1.970	43	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	111.8410	0.000	1	111.8410	0.000	1	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	109.8430	0.000	1	109.8430	0.000	1	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	112.2370	0.000	1	112.2370	0.000	1	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	113.5365	0.153	2	113.5365	0.024	2	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	113.6940	0.677	6	113.6940	0.459	6	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2	113.3920	0.000	1	113.3920	0.000	1	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	112.3275	1.023	2	112.3275	1.047	2	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	111.5640	0.000	1	111.5640	0.000	1	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2	112.1578	0.837	5	112.1578	0.700	5	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2	110.8485	0.367	2	110.8485	0.135	2	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2	110.7095	0.425	2	110.7095	0.181	2	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2	111.9130	2.225	2	111.9130	4.949	2	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2	110.6870	0.000	1	110.6870	0.000	1	112.2662	1.784	27	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CCHH)	113.5310	3.719	2	113.5310	13.834	2	113.5310	13.834	2	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	112.8743	0.734	4	112.8743	0.539	4	112.8743	0.539	4	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	112.4199	1.993	34	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:3:2:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)2	109.9143	0.237	3	109.9143	0.056	3	109.9143	0.056	3	109.9143	0.056	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	N(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NCH)(H)	114.1600	0.000	1	114.1600	0.000	1	112.4695	5.716	2	112.4695	5.716	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	N(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NCH)(H)	110.7790	0.000	1	110.7790	0.000	1	112.4695	5.716	2	112.4695	5.716	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)2(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	N(C[6]C[6]2H)(CC[6a]CH)(H)	112.0110	0.000	2	112.0110	0.000	2	112.0110	0.000	2	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	113.2300	0.000	1	113.2300	0.000	1	113.4520	0.099	2	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	113.6740	0.000	1	113.6740	0.000	1	113.4520	0.099	2	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	107.6020	0.000	1	107.6020	0.000	1	108.7122	0.786	5	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)	109.4645	0.547	2	109.4645	0.299	2	108.7122	0.786	5	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)	108.0670	0.000	1	108.0670	0.000	1	108.7122	0.786	5	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)	108.9630	0.000	1	108.9630	0.000	1	108.7122	0.786	5	110.7669	7.165	11	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	108.1660	0.000	1	108.1660	0.000	1	110.4440	4.037	5	110.5784	2.374	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	109.8505	0.439	2	109.8505	0.193	2	110.4440	4.037	5	110.5784	2.374	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2	110.7520	0.000	1	110.7520	0.000	1	110.4440	4.037	5	110.5784	2.374	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	113.6010	0.000	1	113.6010	0.000	1	110.4440	4.037	5	110.5784	2.374	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	N(C[6]C[6]2H)(CH3)2	110.9350	0.000	1	110.9350	0.000	1	110.8023	0.116	3	110.5784	2.374	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	N(C[6]C[6]2H)(CH3)2	110.4150	0.000	1	110.7360	0.206	2	110.8023	0.116	3	110.5784	2.374	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	N(C[6]C[6]2H)(CH3)2	111.0570	0.000	1	110.7360	0.206	2	110.8023	0.116	3	110.5784	2.374	8	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:S-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SCO)(H)	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6]C[6]2H)(SC[6a]OO)(H)	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:2:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(H)	111.9030	0.218	3	111.9030	0.048	3	111.9030	0.048	3	111.9030	0.048	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:1:	4:4:4:4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:2:	2:4:2:2:	4:1:1:	C[6]-4:C[6]-4:N-3:C-2:	O[6]-2:C[6]-4:O-2:O-2:	C[6]-4:H-1:H-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	N(C[6]C[6]2C)(H)2	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>}	N(C[6]C[6]2C)(H)2	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:2:	3:3:4:1:	4:1:1:	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:H-1:H-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)	N(C[6]C[6]2C)(H)2	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>}	N(C[6]C[6]2C)(H)2	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:3:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(CCC)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(CCC)(NHS){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	104.5690	0.000	1	104.5690	0.000	1	104.5690	0.000	1	104.5690	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	109.7340	2.333	2	109.7340	5.445	2	109.7340	5.445	2	109.7340	5.445	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2C)(CC[6a]CH)(H)	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	110.4115	13.121	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(CCC)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(CCC)(NHS){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	110.9230	0.000	1	110.9230	0.000	1	109.5552	10.902	5	110.4115	13.121	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(COO)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(COO)(NHS){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>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	109.3705	3.741	2	109.3705	13.997	2	109.5552	10.902	5	110.4115	13.121	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(CRuC)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(CRuC)(NHS){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>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	109.0560	5.213	2	109.0560	27.173	2	109.5552	10.902	5	110.4115	13.121	6	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:3:3:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H)	N(C[6]C[6]2C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]CH)(H)	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	3:4:4:2:	4:4:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6]-4:S-4:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	N(C[6]C[6]2C)(SO3)(H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N(C[6]C[6]2C)(SO3)(H)	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,3|H<1>}	N(C[6]C[6]2C)(H)2	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	107.6710	2.036	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	N(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)2	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	107.6710	2.036	2	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	107.5370	11.153	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	110.2820	0.000	1	110.2820	0.000	1	107.0505	20.885	2	107.5370	11.153	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SO3)(H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2C)(SO3)(H)	103.8190	0.000	1	103.8190	0.000	1	107.0505	20.885	2	107.5370	11.153	3	111.7915	6.840	913	111.5903	7.304	1090
466	466	956	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)(H)	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	111.7915	6.840	913	111.5903	7.304	1090